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132524-39-1 | 2-Cyclohexen-1-one, 2-(1-hydroxy-2-phenylethyl)-
CAS No: 132524-39-1 Catalog No: AG0010SN MDL No:
Product Description
Catalog Number:
AG0010SN
Chemical Name:
2-Cyclohexen-1-one, 2-(1-hydroxy-2-phenylethyl)-
CAS Number:
132524-39-1
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
2-(1-hydroxy-2-phenylethyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C14H16O2/c15-13-9-5-4-8-12(13)14(16)10-11-6-2-1-3-7-11/h1-3,6-8,14,16H,4-5,9-10H2
InChI Key:
KLNDSAALGCDWNP-UHFFFAOYSA-N
SMILES:
OC(C1=CCCCC1=O)Cc1ccccc1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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