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123507-41-5 | 4-Penten-1-one, 2-hydroxy-2-methyl-1-phenyl-
CAS No: 123507-41-5 Catalog No: AG000KPF MDL No:
Product Description
Catalog Number:
AG000KPF
Chemical Name:
4-Penten-1-one, 2-hydroxy-2-methyl-1-phenyl-
CAS Number:
123507-41-5
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
2-hydroxy-2-methyl-1-phenylpent-4-en-1-one
InChI:
InChI=1S/C12H14O2/c1-3-9-12(2,14)11(13)10-7-5-4-6-8-10/h3-8,14H,1,9H2,2H3
InChI Key:
HEVQRRUSHIRHIW-UHFFFAOYSA-N
SMILES:
C=CCC(C(=O)c1ccccc1)(O)C
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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