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100515-02-4 | 2-Cyclohexen-1-one, 3-benzoyl-
CAS No: 100515-02-4 Catalog No: AG00027R MDL No:
Product Description
Catalog Number:
AG00027R
Chemical Name:
2-Cyclohexen-1-one, 3-benzoyl-
CAS Number:
100515-02-4
Molecular Formula:
C13H12O2
Molecular Weight:
200.2332
IUPAC Name:
3-benzoylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H12O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChI Key:
AAXHJMZKURWIDS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C1=CC(=O)CCC1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.237g/mol
Monoisotopic Mass:
200.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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