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138506-81-7 | 3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-, (3E)-
CAS No: 138506-81-7 Catalog No: AG0019CA MDL No:
Product Description
Catalog Number:
AG0019CA
Chemical Name:
3-Buten-2-one, 4-(2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-, (3E)-
CAS Number:
138506-81-7
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
4-(2,2-dimethyl-6-methylidenecyclohexyl)-3-methylbut-3-en-2-one
InChI:
InChI=1S/C14H22O/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9,13H,1,6-8H2,2-5H3
InChI Key:
YQUFLLFXOARBNW-UHFFFAOYSA-N
SMILES:
C=C1CCCC(C1/C=C(/C(=O)C)\C)(C)C
EC Number:
230-969-7
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.329g/mol
Monoisotopic Mass:
206.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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