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Home > Nitro Compounds > 15785-54-3
15785-54-3 | Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-
CAS No: 15785-54-3 Catalog No: AG001PRC MDL No:MFCD06203146
Product Description
Catalog Number:
AG001PRC
Chemical Name:
Benzoic acid, 4-hydroxy-3-methoxy-5-nitro-
CAS Number:
15785-54-3
Molecular Formula:
C8H7NO6
Molecular Weight:
213.1443
MDL Number:
MFCD06203146
IUPAC Name:
4-hydroxy-3-methoxy-5-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO6/c1-15-6-3-4(8(11)12)2-5(7(6)10)9(13)14/h2-3,10H,1H3,(H,11,12)
InChI Key:
AEDVAGWYAKIOIM-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1O)[N+](=O)[O-])C(=O)O
EC Number:
819-935-8
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:
1.4
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