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87821-81-6 | 2-Cyclohexen-1-one, 5-(2,3-dimethylphenyl)-3-hydroxy-
CAS No: 87821-81-6 Catalog No: AG004EOH MDL No:
Product Description
Catalog Number:
AG004EOH
Chemical Name:
2-Cyclohexen-1-one, 5-(2,3-dimethylphenyl)-3-hydroxy-
CAS Number:
87821-81-6
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
5-(2,3-dimethylphenyl)-3-hydroxycyclohex-2-en-1-one
InChI:
InChI=1S/C14H16O2/c1-9-4-3-5-14(10(9)2)11-6-12(15)8-13(16)7-11/h3-5,8,11,15H,6-7H2,1-2H3
InChI Key:
DNNKJYHQOBEKNJ-UHFFFAOYSA-N
SMILES:
OC1=CC(=O)CC(C1)c1cccc(c1C)C
Properties
Complexity:
306
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:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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