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89237-07-0 | 1,3-Cyclohexanedione, 4-(phenylmethyl)-
CAS No: 89237-07-0 Catalog No: AG0044G3 MDL No:
Product Description
Catalog Number:
AG0044G3
Chemical Name:
1,3-Cyclohexanedione, 4-(phenylmethyl)-
CAS Number:
89237-07-0
Molecular Formula:
C13H14O2
Molecular Weight:
202.2491
IUPAC Name:
4-benzylcyclohexane-1,3-dione
InChI:
InChI=1S/C13H14O2/c14-12-7-6-11(13(15)9-12)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key:
MWKUZDQNPHIKKD-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(=O)C1)Cc1ccccc1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.099g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.253g/mol
Monoisotopic Mass:
202.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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