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23674-57-9 | Benzamide, N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-
CAS No: 23674-57-9 Catalog No: AG002O40 MDL No:
Product Description
Catalog Number:
AG002O40
Chemical Name:
Benzamide, N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-
CAS Number:
23674-57-9
Molecular Formula:
C15H17NO2
Molecular Weight:
243.3010
IUPAC Name:
N-(5,5-dimethyl-3-oxocyclohexen-1-yl)benzamide
InChI:
InChI=1S/C15H17NO2/c1-15(2)9-12(8-13(17)10-15)16-14(18)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3,(H,16,18)
InChI Key:
XAXJAVCKMWVKNB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)NC1=CC(=O)CC(C1)(C)C
NSC Number:
620518
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.126g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.306g/mol
Monoisotopic Mass:
243.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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