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Home > Nitro Compounds > 148546-84-3
148546-84-3 | Benzoic acid, 3,4-dimethoxy-5-nitro-, methyl ester
CAS No: 148546-84-3 Catalog No: AG00HXMX MDL No:MFCD12412142
Product Description
Catalog Number:
AG00HXMX
Chemical Name:
Benzoic acid, 3,4-dimethoxy-5-nitro-, methyl ester
CAS Number:
148546-84-3
Molecular Formula:
C10H11NO6
Molecular Weight:
241.1974
MDL Number:
MFCD12412142
IUPAC Name:
methyl 3,4-dimethoxy-5-nitrobenzoate
InChI:
InChI=1S/C10H11NO6/c1-15-8-5-6(10(12)17-3)4-7(11(13)14)9(8)16-2/h4-5H,1-3H3
InChI Key:
CRSPPWMPFLPNON-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1)[N+](=O)[O-])OC
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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