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Home > Nitro Compounds > 71750-43-1
71750-43-1 | Benzoic acid,3,4-dimethoxynitro-, methyl ester (9CI)
CAS No: 71750-43-1 Catalog No: AG005FM4 MDL No:
Product Description
Catalog Number:
AG005FM4
Chemical Name:
Benzoic acid,3,4-dimethoxynitro-, methyl ester (9CI)
CAS Number:
71750-43-1
Molecular Formula:
C10H11NO6
Molecular Weight:
241.1974
IUPAC Name:
methyl 3,4-dimethoxy-2-nitrobenzoate
InChI:
InChI=1S/C10H11NO6/c1-15-7-5-4-6(10(12)17-3)8(11(13)14)9(7)16-2/h4-5H,1-3H3
InChI Key:
ZGIUTJWCSIHWGS-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1[N+](=O)[O-])OC)OC
EC Number:
275-975-0
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.199g/mol
Monoisotopic Mass:
241.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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