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Home > Nitro Compounds > 1156940-96-3
1156940-96-3 | Benzoic acid, 3-methyl-5-nitro-, ethyl ester
CAS No: 1156940-96-3 Catalog No: AG000GQX MDL No:MFCD12173011
Product Description
Catalog Number:
AG000GQX
Chemical Name:
Benzoic acid, 3-methyl-5-nitro-, ethyl ester
CAS Number:
1156940-96-3
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
MDL Number:
MFCD12173011
IUPAC Name:
ethyl 3-methyl-5-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-3-15-10(12)8-4-7(2)5-9(6-8)11(13)14/h4-6H,3H2,1-2H3
InChI Key:
WSMBNEGIBJGZPB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)cc(c1)[N+](=O)[O-]
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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