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13299-97-3 | Benzenebutanoic acid, α-hydroxy-α-methyl-γ-oxo-
CAS No: 13299-97-3 Catalog No: AG0011GZ MDL No:
Product Description
Catalog Number:
AG0011GZ
Chemical Name:
Benzenebutanoic acid, α-hydroxy-α-methyl-γ-oxo-
CAS Number:
13299-97-3
Molecular Formula:
C11H12O4
Molecular Weight:
208.2106
IUPAC Name:
2-hydroxy-2-methyl-4-oxo-4-phenylbutanoic acid
InChI:
InChI=1S/C11H12O4/c1-11(15,10(13)14)7-9(12)8-5-3-2-4-6-8/h2-6,15H,7H2,1H3,(H,13,14)
InChI Key:
KLQDKKWLFNZONJ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(C(=O)O)(O)C
EC Number:
236-320-4
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.213g/mol
Monoisotopic Mass:
208.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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