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302840-38-6 | 2-Cyclohexen-1-one, 2,3,4,4-tetramethyl-5-(1-methylethenyl)-, (5S)-
CAS No: 302840-38-6 Catalog No: AG002ZGP MDL No:
Product Description
Catalog Number:
AG002ZGP
Chemical Name:
2-Cyclohexen-1-one, 2,3,4,4-tetramethyl-5-(1-methylethenyl)-, (5S)-
CAS Number:
302840-38-6
Molecular Formula:
C13H20O
Molecular Weight:
192.2973
IUPAC Name:
(5S)-2,3,4,4-tetramethyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
InChI:
InChI=1S/C13H20O/c1-8(2)11-7-12(14)9(3)10(4)13(11,5)6/h11H,1,7H2,2-6H3/t11-/m0/s1
InChI Key:
FXSSEXDMQVRFCR-NSHDSACASA-N
SMILES:
CC(=C)[C@@H]1CC(=O)C(=C(C1(C)C)C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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