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155645-91-3 | Cyclohexadienediol
CAS No: 155645-91-3 Catalog No: AG001O3H MDL No:
Product Description
Catalog Number:
AG001O3H
Chemical Name:
Cyclohexadienediol
CAS Number:
155645-91-3
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
IUPAC Name:
cyclohexa-2,4-diene-1,1-diol
InChI:
InChI=1S/C6H8O2/c7-6(8)4-2-1-3-5-6/h1-4,7-8H,5H2
InChI Key:
QPBQEXGQGCAOKS-UHFFFAOYSA-N
SMILES:
OC1(O)CC=CC=C1
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
0.3
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