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126565-88-6 | 2-Cyclohexen-1-one, 2-(3-buten-1-yl)-3,5,5-trimethyl-
CAS No: 126565-88-6 Catalog No: AG000SY9 MDL No:
Product Description
Catalog Number:
AG000SY9
Chemical Name:
2-Cyclohexen-1-one, 2-(3-buten-1-yl)-3,5,5-trimethyl-
CAS Number:
126565-88-6
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
2-but-3-enyl-3,5,5-trimethylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H20O/c1-5-6-7-11-10(2)8-13(3,4)9-12(11)14/h5H,1,6-9H2,2-4H3
InChI Key:
PQSZUHFTXJYQMJ-UHFFFAOYSA-N
SMILES:
C=CCCC1=C(C)CC(CC1=O)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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