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128920-96-7 | Cyclohexanone, 4-(1,1-dimethylethyl)-2-(3-oxobutyl)-, cis- (9CI)
CAS No: 128920-96-7 Catalog No: AG000YJE MDL No:
Product Description
Catalog Number:
AG000YJE
Chemical Name:
Cyclohexanone, 4-(1,1-dimethylethyl)-2-(3-oxobutyl)-, cis- (9CI)
CAS Number:
128920-96-7
Molecular Formula:
C14H24O2
Molecular Weight:
224.3392
IUPAC Name:
4-tert-butyl-2-(3-oxobutyl)cyclohexan-1-one
InChI:
InChI=1S/C14H24O2/c1-10(15)5-6-11-9-12(14(2,3)4)7-8-13(11)16/h11-12H,5-9H2,1-4H3
InChI Key:
SXFRIMQPURVIEE-UHFFFAOYSA-N
SMILES:
CC(=O)CC[C@H]1C[C@H](CCC1=O)C(C)(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.178g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.344g/mol
Monoisotopic Mass:
224.178g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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