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Home > Nitro Compounds > 17374-48-0
17374-48-0 | Benzoic acid, 2-hydroxy-, 4-nitrophenyl ester
CAS No: 17374-48-0 Catalog No: AG001Z5P MDL No:MFCD00059835
Product Description
Catalog Number:
AG001Z5P
Chemical Name:
Benzoic acid, 2-hydroxy-, 4-nitrophenyl ester
CAS Number:
17374-48-0
Molecular Formula:
C13H9NO5
Molecular Weight:
259.2143
MDL Number:
MFCD00059835
IUPAC Name:
(4-nitrophenyl) 2-hydroxybenzoate
InChI:
InChI=1S/C13H9NO5/c15-12-4-2-1-3-11(12)13(16)19-10-7-5-9(6-8-10)14(17)18/h1-8,15H
InChI Key:
XSTIAAYONYIWGB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.048g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.217g/mol
Monoisotopic Mass:
259.048g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Literature
| Title | Journal |
|---|---|
| Kinetic and theoretical studies on alkaline ethanolysis of 4-nitrophenyl salicylate: effect of alkali metal ions on reactivity and mechanism. | Chemistry (Weinheim an der Bergstrasse, Germany) 20110301 |
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