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Home > Nitro Compounds > 302606-04-8
302606-04-8 | Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester
CAS No: 302606-04-8 Catalog No: AG002ZDV MDL No:
Product Description
Catalog Number:
AG002ZDV
Chemical Name:
Benzoic acid, 2-hydroxy-, 3-[(nitrooxy)methyl]phenyl ester
CAS Number:
302606-04-8
Molecular Formula:
C14H11NO6
Molecular Weight:
289.2402
IUPAC Name:
[3-(nitrooxymethyl)phenyl] 2-hydroxybenzoate
InChI:
InChI=1S/C14H11NO6/c16-13-7-2-1-6-12(13)14(17)21-11-5-3-4-10(8-11)9-20-15(18)19/h1-8,16H,9H2
InChI Key:
MKYGMVOKULQJBW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)OCc1cccc(c1)OC(=O)c1ccccc1O
Properties
Complexity:
369
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:
1
Isotope Atom Count:
0
Molecular Weight:
289.243g/mol
Monoisotopic Mass:
289.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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