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1261444-79-4 | Benzeneacetic acid, 3-methyl-5-nitro-
CAS No: 1261444-79-4 Catalog No: AG000RRG MDL No:
Product Description
Catalog Number:
AG000RRG
Chemical Name:
Benzeneacetic acid, 3-methyl-5-nitro-
CAS Number:
1261444-79-4
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
IUPAC Name:
2-(3-methyl-5-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H9NO4/c1-6-2-7(5-9(11)12)4-8(3-6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
RMLXGMTUGWIFKP-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cc(C)cc(c1)[N+](=O)[O-]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.174g/mol
Monoisotopic Mass:
195.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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