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602-00-6 | Benzoic acid, hydroxynitro-
CAS No: 602-00-6 Catalog No: AG00IANU MDL No:MFCD00017003
Product Description
Catalog Number:
AG00IANU
Chemical Name:
Benzoic acid, hydroxynitro-
CAS Number:
602-00-6
Molecular Formula:
C7H5NO5
Molecular Weight:
183.1183
MDL Number:
MFCD00017003
IUPAC Name:
3-hydroxy-2-nitrobenzoic acid
InChI:
InChI=1S/C7H5NO5/c9-5-3-1-2-4(7(10)11)6(5)8(12)13/h1-3,9H,(H,10,11)
InChI Key:
KPDBKQKRDJPBRM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)cccc1C(=O)O
NSC Number:
159685
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.119g/mol
Monoisotopic Mass:
183.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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