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7784-98-7 | 1-Penten-3-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
CAS No: 7784-98-7 Catalog No: AG005EUI MDL No:
Product Description
Catalog Number:
AG005EUI
Chemical Name:
1-Penten-3-one,1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
CAS Number:
7784-98-7
Molecular Formula:
C14H22O
Molecular Weight:
206.3239
IUPAC Name:
(E)-1-(2,6,6-trimethylcyclohex-3-en-1-yl)pent-1-en-3-one
InChI:
InChI=1S/C14H22O/c1-5-12(15)8-9-13-11(2)7-6-10-14(13,3)4/h6-9,11,13H,5,10H2,1-4H3/b9-8+
InChI Key:
ZQJCPDKTEXSWTH-CMDGGOBGSA-N
SMILES:
CCC(=O)C=CC1C(C)C=CCC1(C)C
EC Number:
232-074-7
UNII:
11E70LY0Z5
FEMA Number:
2713
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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