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Home > Nitro Compounds > 2597-56-0
2597-56-0 | Benzoic acid, 2-methoxy-4-nitro-
CAS No: 2597-56-0 Catalog No: AG002R8P MDL No:MFCD00216573
Product Description
Catalog Number:
AG002R8P
Chemical Name:
Benzoic acid, 2-methoxy-4-nitro-
CAS Number:
2597-56-0
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00216573
IUPAC Name:
2-methoxy-4-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-14-7-4-5(9(12)13)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChI Key:
KPJXEWJRJKEOCD-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C(=O)O)[N+](=O)[O-]
EC Number:
219-998-6
NSC Number:
229300
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.032g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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