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20141-17-7 | 4-Cyclohexene-1,2-dimethanol, (1R,2S)-rel-
CAS No: 20141-17-7 Catalog No: AG002DDZ MDL No:
Product Description
Catalog Number:
AG002DDZ
Chemical Name:
4-Cyclohexene-1,2-dimethanol, (1R,2S)-rel-
CAS Number:
20141-17-7
Molecular Formula:
C8H14O2
Molecular Weight:
142.1956
IUPAC Name:
[(1S,6R)-6-(hydroxymethyl)cyclohex-3-en-1-yl]methanol
InChI:
InChI=1S/C8H14O2/c9-5-7-3-1-2-4-8(7)6-10/h1-2,7-10H,3-6H2/t7-,8+
InChI Key:
FQCJBRVTYJVAEF-OCAPTIKFSA-N
SMILES:
OC[C@@H]1CC=CC[C@@H]1CO
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.099g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.198g/mol
Monoisotopic Mass:
142.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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