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Home > Nitro Compounds > 164161-28-8
164161-28-8 | Benzoic acid, 4-hydroxy-2-nitro-5-(phenylmethoxy)-
CAS No: 164161-28-8 Catalog No: AG001UOY MDL No:
Product Description
Catalog Number:
AG001UOY
Chemical Name:
Benzoic acid, 4-hydroxy-2-nitro-5-(phenylmethoxy)-
CAS Number:
164161-28-8
Molecular Formula:
C14H11NO6
Molecular Weight:
289.2402
IUPAC Name:
4-hydroxy-2-nitro-5-phenylmethoxybenzoic acid
InChI:
InChI=1S/C14H11NO6/c16-12-7-11(15(19)20)10(14(17)18)6-13(12)21-8-9-4-2-1-3-5-9/h1-7,16H,8H2,(H,17,18)
InChI Key:
PCVFXPJABKJDOK-UHFFFAOYSA-N
SMILES:
Oc1cc([N+](=O)[O-])c(cc1OCc1ccccc1)C(=O)O
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.243g/mol
Monoisotopic Mass:
289.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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