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3，5-Bis((tert-butoxycarbonyl)amino)benzoic acid - ≥97%, high purity , CAS No.133887-83-9

3，5-Bis((tert-butoxycarbonyl)amino)benzoic acid - ≥97%, high purity , CAS No.133887-83-9

Item Number

B699524

Grouped product items
SKU	Size	Availability	Price	Qty
B699524-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$145.90	+-

Basic Description

Specifications & Purity	≥97%

IUPAC Name	3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
INCHI	InChI=1S/C17H24N2O6/c1-16(2,3)24-14(22)18-11-7-10(13(20)21)8-12(9-11)19-15(23)25-17(4,5)6/h7-9H,1-6H3,(H,18,22)(H,19,23)(H,20,21)
InChi Key	SSZRVVHPLPWQCW-UHFFFAOYSA-N
Canonical SMILES	CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C
Isomeric SMILES	CC(C)(C)OC(=O)NC1=CC(=CC(=C1)C(=O)O)NC(=O)OC(C)(C)C
PubChem CID	1501844
Molecular Weight	352.39

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Molecular Weight	352.400 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	352.163 Da
Monoisotopic Mass	352.163 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	468.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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

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