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114646-94-5 | Cyclohexanone, 2-(1-cyclohexen-1-yl)-6-[(2-oxocyclopentyl)methyl]-
CAS No: 114646-94-5 Catalog No: AG000EX4 MDL No:
Product Description
Catalog Number:
AG000EX4
Chemical Name:
Cyclohexanone, 2-(1-cyclohexen-1-yl)-6-[(2-oxocyclopentyl)methyl]-
CAS Number:
114646-94-5
Molecular Formula:
C18H26O2
Molecular Weight:
274.3978
IUPAC Name:
2-(cyclohexen-1-yl)-6-[(2-oxocyclopentyl)methyl]cyclohexan-1-one
InChI:
InChI=1S/C18H26O2/c19-17-11-5-8-14(17)12-15-9-4-10-16(18(15)20)13-6-2-1-3-7-13/h6,14-16H,1-5,7-12H2
InChI Key:
RANAQJZBVVIOMG-UHFFFAOYSA-N
SMILES:
O=C1C(CCCC1C1=CCCCC1)CC1CCCC1=O
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.193g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.404g/mol
Monoisotopic Mass:
274.193g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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