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18943-10-7 | Cyclohexanone, 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-phenyl-
CAS No: 18943-10-7 Catalog No: AG002DNE MDL No:
Product Description
Catalog Number:
AG002DNE
Chemical Name:
Cyclohexanone, 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-phenyl-
CAS Number:
18943-10-7
Molecular Formula:
C18H21NO2
Molecular Weight:
283.3648
IUPAC Name:
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylcyclohexan-1-one
InChI:
InChI=1S/C18H21NO2/c1-13-16(14(2)21-19-13)12-18(11-7-6-10-17(18)20)15-8-4-3-5-9-15/h3-5,8-9H,6-7,10-12H2,1-2H3
InChI Key:
HCVWNUUBPXIWFH-UHFFFAOYSA-N
SMILES:
Cc1onc(c1CC1(CCCCC1=O)c1ccccc1)C
NSC Number:
151755
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.157g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.371g/mol
Monoisotopic Mass:
283.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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