Home Other Building Blocks cyclohex-2-ene-1,4-diol

cyclohex-2-ene-1,4-diol

CAS No.:
45620-68-6
Catalog Number:
AG01B8O0
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
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Product Description
Catalog Number:
AG01B8O0
Chemical Name:
cyclohex-2-ene-1,4-diol
CAS Number:
45620-68-6
Molecular Formula:
C6H10O2
Molecular Weight:
114.1424
MDL Number:
MFCD24390196
IUPAC Name:
cyclohex-2-ene-1,4-diol
InChI:
InChI=1S/C6H10O2/c7-5-1-2-6(8)4-3-5/h1-2,5-8H,3-4H2
InChI Key:
FDODVZVWGKVMBO-UHFFFAOYSA-N
SMILES:
OC1CCC(C=C1)O
Properties
Complexity:
86.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.068g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
114.144g/mol
Monoisotopic Mass:
114.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Literature
Title Journal
An efficient protocol for the enantioselective preparation of a key polyfunctionalized cyclohexane. New access to (R)- and (S)-4-Hydroxy-2-cyclohexenone and (R)- and (S)-trans-cyclohex-2-ene-1,4-diol. The Journal of organic chemistry 20080502
trans-Cyclo-hex-2-ene-1,4-diyl bis-(4-nitro-phen-yl) dicarbonate. Acta crystallographica. Section E, Structure reports online 20080101
Properties