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Home > Nitro Compounds > 82379-38-2
82379-38-2 | 4-(Hydroxymethyl);-3-nitrobenzoic acid
CAS No: 82379-38-2 Catalog No: AG005D6F MDL No:MFCD01076314
Product Description
Catalog Number:
AG005D6F
Chemical Name:
4-(Hydroxymethyl);-3-nitrobenzoic acid
CAS Number:
82379-38-2
Molecular Formula:
C8H7NO5
Molecular Weight:
197.1449
MDL Number:
MFCD01076314
IUPAC Name:
4-(hydroxymethyl)-3-nitrobenzoic acid
InChI:
InChI=1S/C8H7NO5/c10-4-6-2-1-5(8(11)12)3-7(6)9(13)14/h1-3,10H,4H2,(H,11,12)
InChI Key:
KUOYLJCVVIDGBZ-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1[N+](=O)[O-])C(=O)O
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:
2
Isotope Atom Count:
0
Molecular Weight:
197.146g/mol
Monoisotopic Mass:
197.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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