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Home > Nitro Compounds > 89586-12-9
89586-12-9 | Benzoic acid, 2-hydroxy-6-methyl-3-nitro-, methyl ester
CAS No: 89586-12-9 Catalog No: AG003XTF MDL No:
Product Description
Catalog Number:
AG003XTF
Chemical Name:
Benzoic acid, 2-hydroxy-6-methyl-3-nitro-, methyl ester
CAS Number:
89586-12-9
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
methyl 2-hydroxy-6-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H9NO5/c1-5-3-4-6(10(13)14)8(11)7(5)9(12)15-2/h3-4,11H,1-2H3
InChI Key:
YASJHCFIYVSVJB-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(C)ccc(c1O)[N+](=O)[O-]
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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