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98841-71-5 | Benzeneacetic acid, 2-methyl-alpha-(1-methylethyl)-
CAS No: 98841-71-5 Catalog No: AG01F8WV MDL No:
Product Description
Catalog Number:
AG01F8WV
Chemical Name:
Benzeneacetic acid, 2-methyl-alpha-(1-methylethyl)-
CAS Number:
98841-71-5
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
IUPAC Name:
3-methyl-2-(2-methylphenyl)butanoic acid
InChI:
InChI=1S/C12H16O2/c1-8(2)11(12(13)14)10-7-5-4-6-9(10)3/h4-8,11H,1-3H3,(H,13,14)
InChI Key:
SUDHCDMMONZPEZ-UHFFFAOYSA-N
SMILES:
CC(C(c1ccccc1C)C(=O)O)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.115g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.258g/mol
Monoisotopic Mass:
192.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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