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17283-81-7 | 4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
CAS No: 17283-81-7 Catalog No: AG003ALA MDL No:
Product Description
Catalog Number:
AG003ALA
Chemical Name:
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
CAS Number:
17283-81-7
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
4-(2,6,6-trimethylcyclohexen-1-yl)butan-2-one
InChI:
InChI=1S/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
InChI Key:
QJJDNZGPQDGNDX-UHFFFAOYSA-N
SMILES:
CC(=O)CCC1=C(C)CCCC1(C)C
EC Number:
241-318-1
UNII:
710YK6CESE
FEMA Number:
3626
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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