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20194-68-7 | 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-buten-1-yl)-
CAS No: 20194-68-7 Catalog No: AG0027XC MDL No:
Product Description
Catalog Number:
AG0027XC
Chemical Name:
2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-buten-1-yl)-
CAS Number:
20194-68-7
Molecular Formula:
C13H18O2
Molecular Weight:
206.2808
IUPAC Name:
3,5,5-trimethyl-4-(3-oxobut-1-enyl)cyclohex-2-en-1-one
InChI:
InChI=1S/C13H18O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,12H,8H2,1-4H3
InChI Key:
MLYOGKJJENFVJN-UHFFFAOYSA-N
SMILES:
CC(=O)C=CC1C(=CC(=O)CC1(C)C)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.285g/mol
Monoisotopic Mass:
206.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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