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69766-87-6 | 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-phenyl-
CAS No: 69766-87-6 Catalog No: AG005I0H MDL No:
Product Description
Catalog Number:
AG005I0H
Chemical Name:
2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-phenyl-
CAS Number:
69766-87-6
Molecular Formula:
C12H12O2
Molecular Weight:
188.2225
IUPAC Name:
4-hydroxy-3-methyl-2-phenylcyclopent-2-en-1-one
InChI:
InChI=1S/C12H12O2/c1-8-10(13)7-11(14)12(8)9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3
InChI Key:
XXNARIQNPZPYSQ-UHFFFAOYSA-N
SMILES:
O=C1CC(C(=C1c1ccccc1)C)O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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