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Home > Nitro Compounds > 128450-32-8
128450-32-8 | Benzoic acid, 3-methoxy-4-methyl-2-nitro-, methyl ester
CAS No: 128450-32-8 Catalog No: AG000Y41 MDL No:MFCD12407814
Product Description
Catalog Number:
AG000Y41
Chemical Name:
Benzoic acid, 3-methoxy-4-methyl-2-nitro-, methyl ester
CAS Number:
128450-32-8
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
MDL Number:
MFCD12407814
IUPAC Name:
methyl 3-methoxy-4-methyl-2-nitrobenzoate
InChI:
InChI=1S/C10H11NO5/c1-6-4-5-7(10(12)16-3)8(11(13)14)9(6)15-2/h4-5H,1-3H3
InChI Key:
QAXKCCPPMGTAHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1[N+](=O)[O-])OC)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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