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287119-84-0 | Benzeneacetic acid, 2-Methyl-5-nitro-, Methyl ester
CAS No: 287119-84-0 Catalog No: AG002W7K MDL No:
Product Description
Catalog Number:
AG002W7K
Chemical Name:
Benzeneacetic acid, 2-Methyl-5-nitro-, Methyl ester
CAS Number:
287119-84-0
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
methyl 2-(2-methyl-5-nitrophenyl)acetate
InChI:
InChI=1S/C10H11NO4/c1-7-3-4-9(11(13)14)5-8(7)6-10(12)15-2/h3-5H,6H2,1-2H3
InChI Key:
PXDGHWZWDUIGSL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(CC(=O)OC)c(cc1)C
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:
1.9
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