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Home > Nitro Compounds > 80547-65-5
80547-65-5 | Benzoic acid, 3-hydroxy-4-methoxy-5-nitro-
CAS No: 80547-65-5 Catalog No: AG00593J MDL No:
Product Description
Catalog Number:
AG00593J
Chemical Name:
Benzoic acid, 3-hydroxy-4-methoxy-5-nitro-
CAS Number:
80547-65-5
Molecular Formula:
C8H7NO6
Molecular Weight:
213.1443
IUPAC Name:
3-hydroxy-4-methoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO6/c1-15-7-5(9(13)14)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
YJNZVXWSDLXUFD-UHFFFAOYSA-N
SMILES:
COc1c(O)cc(cc1[N+](=O)[O-])C(=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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