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827612-12-4 | 3-Cyclohexen-1-ol, 2,2,4-trimethyl-, (1S)-
CAS No: 827612-12-4 Catalog No: AG0056ZM MDL No:
Product Description
Catalog Number:
AG0056ZM
Chemical Name:
3-Cyclohexen-1-ol, 2,2,4-trimethyl-, (1S)-
CAS Number:
827612-12-4
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
(1S)-2,2,4-trimethylcyclohex-3-en-1-ol
InChI:
InChI=1S/C9H16O/c1-7-4-5-8(10)9(2,3)6-7/h6,8,10H,4-5H2,1-3H3/t8-/m0/s1
InChI Key:
OZIALYKARYFTKN-QMMMGPOBSA-N
SMILES:
O[C@H]1CCC(=CC1(C)C)C
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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