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182693-60-3 | 2-Cyclohexen-1-one, 6-hydroxy-3-methyl-, (6S)-
CAS No: 182693-60-3 Catalog No: AG00242B MDL No:
Product Description
Catalog Number:
AG00242B
Chemical Name:
2-Cyclohexen-1-one, 6-hydroxy-3-methyl-, (6S)-
CAS Number:
182693-60-3
Molecular Formula:
C7H10O2
Molecular Weight:
126.1531
IUPAC Name:
(6S)-6-hydroxy-3-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C7H10O2/c1-5-2-3-6(8)7(9)4-5/h4,6,8H,2-3H2,1H3/t6-/m0/s1
InChI Key:
XMUMCUPQYQSARY-LURJTMIESA-N
SMILES:
CC1=CC(=O)[C@H](CC1)O
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
126.068g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
126.155g/mol
Monoisotopic Mass:
126.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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