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2906-28-7

2906-28-7 | Benzoic acid, 4-amino-, ion(1-)

CAS No: 2906-28-7 Catalog No: AG002X83 MDL No:

Product Description

Catalog Number:
AG002X83
Chemical Name:
Benzoic acid, 4-amino-, ion(1-)
CAS Number:
2906-28-7
IUPAC Name:
4-aminobenzoate
InChI:
InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
InChI Key:
ALYNCZNDIQEVRV-UHFFFAOYSA-M

Properties

Complexity:
122  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.04g/mol
Formal Charge:
-1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
136.13g/mol
Monoisotopic Mass:
136.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

Literature

Title Journal
Crystallographic analysis of active site contributions to regiospecificity in the diiron enzyme toluene 4-monooxygenase. Biochemistry 20120214
High-throughput identification of microbial transformation products of organic micropollutants. Environmental science & technology 20100901
4-Nitrobenzoate inhibits coenzyme Q biosynthesis in mammalian cell cultures. Nature chemical biology 20100701
Isolation of a bacterial strain with the ability to utilize the sulfonated azo compound 4-carboxy-4'-sulfoazobenzene as the sole source of carbon and energy. Applied and environmental microbiology 19980601
Crystal structures of wild-type p-hydroxybenzoate hydroxylase complexed with 4-aminobenzoate,2,4-dihydroxybenzoate, and 2-hydroxy-4-aminobenzoate and of the Tyr222Ala mutant complexed with 2-hydroxy-4-aminobenzoate. Evidence for a proton channel and a new binding mode of the flavin ring. Biochemistry 19940823
Purification and properties of 4-aminobenzoate hydroxylase, a new monooxygenase from Agaricus bisporus. The Journal of biological chemistry 19861005

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