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4-methoxycyclohexanecarboxylic acid - ≥97%,mixture of cis and trans, high purity , CAS No.95233-12-8
Basic Description
Synonyms | EN300-6770515 | 4-METHOXYCYCLOHEXANECARBOXYLIC ACID | FT-0731100 | SB15662 | Trans-4-methoxycyclohexane carboxylic acid | WKILSRYNRQGRMA-KNVOCYPGSA-N | SCHEMBL1979948 | AKOS027336855 | SCHEMBL2444574 | 4-methoxycylcohexanecarboxylic acid | Cyclohexanecarb |
Specifications & Purity | ≥97%,mixture of cis and trans |
Shipped In | Normal |
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Names and Identifiers
Pubchem Sid | 504760042 |
Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504760042 |
IUPAC Name | 4-methoxycyclohexane-1-carboxylic acid |
INCHI | InChI=1S/C8H14O3/c1-11-7-4-2-6(3-5-7)8(9)10/h6-7H,2-5H2,1H3,(H,9,10) |
InChi Key | WKILSRYNRQGRMA-UHFFFAOYSA-N |
Canonical SMILES | COC1CCC(CC1)C(=O)O |
Isomeric SMILES | COC1CCC(CC1)C(=O)O |
Alternate CAS | 73873-61-7 |
PubChem CID | 736153 |
Molecular Weight | 158.19 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 158.190 g/mol |
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XLogP3 | 0.900 |
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Hydrogen Bond Donor Count | 1 |
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Hydrogen Bond Acceptor Count | 3 |
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Rotatable Bond Count | 2 |
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Exact Mass | 158.094 Da |
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Monoisotopic Mass | 158.094 Da |
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Topological Polar Surface Area | 46.500 Ų |
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Heavy Atom Count | 11 |
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Formal Charge | 0 |
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Complexity | 136.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 0 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 0 |
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Covalently-Bonded Unit Count | 1 |
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Safety and Hazards(GHS)
Pictogram(s) | GHS07 |
Signal | Warning |
Hazard Statements | H315:Causes skin irritation H319:Causes serious eye irritation H335:May cause respiratory irritation |
Precautionary Statements | P261:Avoid breathing dust/fume/gas/mist/vapors/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present and easy to do - continue rinsing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of water. P321:Specific treatment (see ... on this label). P405:Store locked up. P501:Dispose of contents/container to ... P264:Wash hands [and …] thoroughly after handling. P271:Use only outdoors or in a well-ventilated area. P304+P340:IF INHALED: Remove person to fresh air and keep comfortable for breathing. P403+P233:Store in a well-ventilated place. Keep container tightly closed. P362+P364:Take off contaminated clothing and wash it before reuse. P264+P265:Wash hands [and …] thoroughly after handling. Do not touch eyes. P337+P317:If eye irritation persists: Get medical help. P332+P317:If skin irritation occurs: Get medical help. P319:Get medical help if you feel unwell. |
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