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101758-35-4 | 2-Cyclohexen-1-one, 4-methyl-, (4S)-
CAS No: 101758-35-4 Catalog No: AG0005EG MDL No:
Product Description
Catalog Number:
AG0005EG
Chemical Name:
2-Cyclohexen-1-one, 4-methyl-, (4S)-
CAS Number:
101758-35-4
Molecular Formula:
C7H10O
Molecular Weight:
110.1537
IUPAC Name:
(4S)-4-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C7H10O/c1-6-2-4-7(8)5-3-6/h2,4,6H,3,5H2,1H3/t6-/m1/s1
InChI Key:
RKSNPTXBQXBXDJ-ZCFIWIBFSA-N
SMILES:
C[C@H]1CCC(=O)C=C1
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
110.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.156g/mol
Monoisotopic Mass:
110.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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