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Home > Nitro Compounds > 140647-01-4
140647-01-4 | Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-
CAS No: 140647-01-4 Catalog No: AG001CN7 MDL No:MFCD22627819
Product Description
Catalog Number:
AG001CN7
Chemical Name:
Benzoic acid, 4-hydroxy-5-methoxy-2-nitro-
CAS Number:
140647-01-4
Molecular Formula:
C8H7NO6
Molecular Weight:
213.1443
MDL Number:
MFCD22627819
IUPAC Name:
4-hydroxy-5-methoxy-2-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO6/c1-15-7-2-4(8(11)12)5(9(13)14)3-6(7)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
RAPBNVDGGBJECM-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)O)c(cc1O)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.145g/mol
Monoisotopic Mass:
213.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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