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1010-48-6 | Benzenepropanoic acid, β,β-dimethyl-
CAS No: 1010-48-6 Catalog No: AG0003GI MDL No:MFCD00020492
Product Description
Catalog Number:
AG0003GI
Chemical Name:
Benzenepropanoic acid, β,β-dimethyl-
CAS Number:
1010-48-6
Molecular Formula:
C11H14O2
Molecular Weight:
178.2277
MDL Number:
MFCD00020492
IUPAC Name:
3-methyl-3-phenylbutanoic acid
InChI:
InChI=1S/C11H14O2/c1-11(2,8-10(12)13)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13)
InChI Key:
JTZZMXVIHNHASS-UHFFFAOYSA-N
SMILES:
OC(=O)CC(c1ccccc1)(C)C
UNII:
SY9Z3KBQ5R
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.099g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.231g/mol
Monoisotopic Mass:
178.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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