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30981-98-7 | Benzeneacetic acid, 2,3-dimethyl-
CAS No: 30981-98-7 Catalog No: AG0031UB MDL No:MFCD03844736
Product Description
Catalog Number:
AG0031UB
Chemical Name:
Benzeneacetic acid, 2,3-dimethyl-
CAS Number:
30981-98-7
Molecular Formula:
C10H12O2
Molecular Weight:
164.2011
MDL Number:
MFCD03844736
IUPAC Name:
2-(2,3-dimethylphenyl)acetic acid
InChI:
InChI=1S/C10H12O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChI Key:
AMPNBNGNPLXMOP-UHFFFAOYSA-N
SMILES:
Cc1c(CC(=O)O)cccc1C
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.204g/mol
Monoisotopic Mass:
164.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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