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102338-89-6 | Benzoic acid, 2-(acetyloxy)-4-amino-
CAS No: 102338-89-6 Catalog No: AG00077N MDL No:
Product Description
Catalog Number:
AG00077N
Chemical Name:
Benzoic acid, 2-(acetyloxy)-4-amino-
CAS Number:
102338-89-6
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2-acetyloxy-4-aminobenzoic acid
InChI:
InChI=1S/C9H9NO4/c1-5(11)14-8-4-6(10)2-3-7(8)9(12)13/h2-4H,10H2,1H3,(H,12,13)
InChI Key:
OGBZOXBEULJKHF-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc(N)ccc1C(=O)O
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| Brain regional pharmacokinetics of p-aminosalicylic acid and its N-acetylated metabolite: effectiveness in chelating brain manganese. | Drug metabolism and disposition: the biological fate of chemicals 20111001 |
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