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Home > Nitro Compounds > 7335-59-3
7335-59-3 | 2-acetyl-3-nitrobenzoic acid
CAS No: 7335-59-3 Catalog No: AG005EMQ MDL No:
Product Description
Catalog Number:
AG005EMQ
Chemical Name:
2-acetyl-3-nitrobenzoic acid
CAS Number:
7335-59-3
Molecular Formula:
C9H7NO5
Molecular Weight:
209.1556
IUPAC Name:
2-acetyl-3-nitrobenzoic acid
InChI:
InChI=1S/C9H7NO5/c1-5(11)8-6(9(12)13)3-2-4-7(8)10(14)15/h2-4H,1H3,(H,12,13)
InChI Key:
FWLJWRLEBQQLSX-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(=O)C)[N+](=O)[O-]
NSC Number:
45916
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.157g/mol
Monoisotopic Mass:
209.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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