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Home > Nitro Compounds > 89586-15-2
89586-15-2 | Benzoic acid, 5-acetyl-2-hydroxy-3-nitro-, methyl ester
CAS No: 89586-15-2 Catalog No: AG003XTE MDL No:
Product Description
Catalog Number:
AG003XTE
Chemical Name:
Benzoic acid, 5-acetyl-2-hydroxy-3-nitro-, methyl ester
CAS Number:
89586-15-2
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
IUPAC Name:
methyl 5-acetyl-2-hydroxy-3-nitrobenzoate
InChI:
InChI=1S/C10H9NO6/c1-5(12)6-3-7(10(14)17-2)9(13)8(4-6)11(15)16/h3-4,13H,1-2H3
InChI Key:
BWVGSTMMFDZVBB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1O)[N+](=O)[O-])C(=O)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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