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18905-30-1 | 3,5-Cyclohexadiene-1,2-diol, (1R,2R)-rel-
CAS No: 18905-30-1 Catalog No: AG002HS3 MDL No:
Product Description
Catalog Number:
AG002HS3
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, (1R,2R)-rel-
CAS Number:
18905-30-1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
(1R,2R)-cyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H/t5-,6-/m1/s1
InChI Key:
YDRSQRPHLBEPTP-PHDIDXHHSA-N
SMILES:
O[C@@H]1C=CC=C[C@H]1O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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