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1247119-83-0 | Benzeneacetic acid, 4-ethyl-α,α-dimethyl-
CAS No: 1247119-83-0 Catalog No: AG000MN9 MDL No:MFCD13180614
Product Description
Catalog Number:
AG000MN9
Chemical Name:
Benzeneacetic acid, 4-ethyl-α,α-dimethyl-
CAS Number:
1247119-83-0
Molecular Formula:
C12H16O2
Molecular Weight:
192.2542
MDL Number:
MFCD13180614
IUPAC Name:
2-(4-ethylphenyl)-2-methylpropanoic acid
InChI:
InChI=1S/C12H16O2/c1-4-9-5-7-10(8-6-9)12(2,3)11(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChI Key:
ZTABWPDSXBXQMV-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C(C(=O)O)(C)C
Properties
Complexity:
200
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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