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54941-44-5 | 2-(4-Methyl-3-nitrophenyl)acetic acid
CAS No: 54941-44-5 Catalog No: AG003EX0 MDL No:MFCD09832994
Product Description
Catalog Number:
AG003EX0
Chemical Name:
2-(4-Methyl-3-nitrophenyl)acetic acid
CAS Number:
54941-44-5
Molecular Formula:
C9H9NO4
Molecular Weight:
195.1721
MDL Number:
MFCD09832994
IUPAC Name:
2-(4-methyl-3-nitrophenyl)acetic acid
InChI:
InChI=1S/C9H9NO4/c1-6-2-3-7(5-9(11)12)4-8(6)10(13)14/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
WZNKBDUWSKJHEG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(c(c1)[N+](=O)[O-])C
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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