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Home > Nitro Compounds > 4920-80-3
4920-80-3 | 3-Methoxy-2-nitrobenzoic acid
CAS No: 4920-80-3 Catalog No: AG003JMR MDL No:MFCD00007143
Product Description
Catalog Number:
AG003JMR
Chemical Name:
3-Methoxy-2-nitrobenzoic acid
CAS Number:
4920-80-3
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD00007143
IUPAC Name:
3-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c1-14-6-4-2-3-5(8(10)11)7(6)9(12)13/h2-4H,1H3,(H,10,11)
InChI Key:
YMOMYSDAOXOCID-UHFFFAOYSA-N
SMILES:
COc1cccc(c1[N+](=O)[O-])C(=O)O
EC Number:
225-549-5
NSC Number:
609
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:
1.6
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