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100295-50-9 | 2-Cyclohexen-1-one, 4-(1,1-dimethylethyl)-, (4S)-
CAS No: 100295-50-9 Catalog No: AG0001GN MDL No:
Product Description
Catalog Number:
AG0001GN
Chemical Name:
2-Cyclohexen-1-one, 4-(1,1-dimethylethyl)-, (4S)-
CAS Number:
100295-50-9
Molecular Formula:
C10H16O
Molecular Weight:
152.2334
IUPAC Name:
(4S)-4-tert-butylcyclohex-2-en-1-one
InChI:
InChI=1S/C10H16O/c1-10(2,3)8-4-6-9(11)7-5-8/h4,6,8H,5,7H2,1-3H3/t8-/m1/s1
InChI Key:
JVUQEKLVFLSSTL-MRVPVSSYSA-N
SMILES:
CC([C@H]1CCC(=O)C=C1)(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
152.12g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.237g/mol
Monoisotopic Mass:
152.12g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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