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Home > Nitro Compounds > 24805-54-7
24805-54-7 | Benzoic acid, 2,4-dimethyl-3-nitro-, methyl ester
CAS No: 24805-54-7 Catalog No: AG002PI1 MDL No:
Product Description
Catalog Number:
AG002PI1
Chemical Name:
Benzoic acid, 2,4-dimethyl-3-nitro-, methyl ester
CAS Number:
24805-54-7
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
methyl 2,4-dimethyl-3-nitrobenzoate
InChI:
InChI=1S/C10H11NO4/c1-6-4-5-8(10(12)15-3)7(2)9(6)11(13)14/h4-5H,1-3H3
InChI Key:
YSUYMIMLCZOBJX-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
261
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:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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