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123453-95-2 | 3-Cyclohexene-1-methanol, 5-hydroxy-, (1S,5S)-
CAS No: 123453-95-2 Catalog No: AG000KL1 MDL No:
Product Description
Catalog Number:
AG000KL1
Chemical Name:
3-Cyclohexene-1-methanol, 5-hydroxy-, (1S,5S)-
CAS Number:
123453-95-2
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
IUPAC Name:
(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
InChI:
InChI=1S/C7H12O2/c8-5-6-2-1-3-7(9)4-6/h1,3,6-9H,2,4-5H2/t6-,7+/m0/s1
InChI Key:
JMVASHRLICGBHU-NKWVEPMBSA-N
SMILES:
OC[C@H]1CC=C[C@H](C1)O
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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