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Home > Nitro Compounds > 89646-23-1
89646-23-1 | Benzoic acid, 2-(2-hydroxybenzoyl)-3-nitro-
CAS No: 89646-23-1 Catalog No: AG003VRL MDL No:
Product Description
Catalog Number:
AG003VRL
Chemical Name:
Benzoic acid, 2-(2-hydroxybenzoyl)-3-nitro-
CAS Number:
89646-23-1
Molecular Formula:
C14H9NO6
Molecular Weight:
287.2244
IUPAC Name:
2-(2-hydroxybenzoyl)-3-nitrobenzoic acid
InChI:
InChI=1S/C14H9NO6/c16-11-7-2-1-4-8(11)13(17)12-9(14(18)19)5-3-6-10(12)15(20)21/h1-7,16H,(H,18,19)
InChI Key:
HTLZDZZOVYSUOU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1C(=O)c1ccccc1O)[N+](=O)[O-]
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.043g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.227g/mol
Monoisotopic Mass:
287.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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