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15753-50-1

15753-50-1 | 1,2-Cyclohexanedimethanol, (1R,2S)-rel-

CAS No: 15753-50-1 Catalog No: AG001PHU MDL No:MFCD00062987

Product Description

Catalog Number:
AG001PHU
Chemical Name:
1,2-Cyclohexanedimethanol, (1R,2S)-rel-
CAS Number:
15753-50-1
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD00062987
IUPAC Name:
[(1S,2R)-2-(hydroxymethyl)cyclohexyl]methanol
InChI:
InChI=1S/C8H16O2/c9-5-7-3-1-2-4-8(7)6-10/h7-10H,1-6H2/t7-,8+
InChI Key:
XDODWINGEHBYRT-OCAPTIKFSA-N
SMILES:
OC[C@@H]1CCCC[C@@H]1CO
EC Number:
239-843-6

Properties

Complexity:
81.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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