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127380-80-7 | 3,5-Cyclohexadiene-1,2-diol, 3-ethenyl-, (1R,2S)-rel-
CAS No: 127380-80-7 Catalog No: AG000X0G MDL No:
Product Description
Catalog Number:
AG000X0G
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, 3-ethenyl-, (1R,2S)-rel-
CAS Number:
127380-80-7
Molecular Formula:
C8H10O2
Molecular Weight:
138.1638
IUPAC Name:
3-ethenylcyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h2-5,7-10H,1H2
InChI Key:
VQKKVCTZENPFCZ-UHFFFAOYSA-N
SMILES:
C=CC1=CC=C[C@H]([C@H]1O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.068g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.166g/mol
Monoisotopic Mass:
138.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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