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SKU | Size | Availability | Price | Qty |
---|---|---|---|---|
Z117117-1g | 1g | 10 | $59.90 | |
Z117117-5g | 5g | 3 | $182.90 | |
Z117117-25g | 25g | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $820.90 |
Specifications & Purity | ≥98% |
---|---|
Shipped In | Normal |
Pubchem Sid | 488195845 |
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Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195845 |
IUPAC Name | (2S)-2-[methyl(phenylmethoxycarbonyl)amino]-3-phenylpropanoic acid |
INCHI | InChI=1S/C18H19NO4/c1-19(18(22)23-13-15-10-6-3-7-11-15)16(17(20)21)12-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,20,21)/t16-/m0/s1 |
InChi Key | JDGXKNMKNMSHRJ-INIZCTEOSA-N |
Canonical SMILES | CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC=CC=C2 |
Isomeric SMILES | CN([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC=CC=C2 |
WGK Germany | 3 |
PubChem CID | 6544472 |
Molecular Weight | 313.35 |
Beilstein | 2768622 |
Specific Rotation[α] | -65 ° (C=1, EtOH) |
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Melt Point(°C) | 69°C |
Molecular Weight | 313.300 g/mol |
XLogP3 | 3.200 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 7 |
Exact Mass | 313.131 Da |
Monoisotopic Mass | 313.131 Da |
Topological Polar Surface Area | 66.800 Ų |
Heavy Atom Count | 23 |
Formal Charge | 0 |
Complexity | 386.000 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
The total count of all stereochemical bonds | 0 |
Covalently-Bonded Unit Count | 1 |
WGK Germany | 3 |
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