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155239-20-6 | 3,5-Cyclohexadiene-1,2-diol, 3-methoxy-, (1S,2S)-
CAS No: 155239-20-6 Catalog No: AG001NR2 MDL No:
Product Description
Catalog Number:
AG001NR2
Chemical Name:
3,5-Cyclohexadiene-1,2-diol, 3-methoxy-, (1S,2S)-
CAS Number:
155239-20-6
Molecular Formula:
C7H10O3
Molecular Weight:
142.1525
IUPAC Name:
(1S,2S)-3-methoxycyclohexa-3,5-diene-1,2-diol
InChI:
InChI=1S/C7H10O3/c1-10-6-4-2-3-5(8)7(6)9/h2-5,7-9H,1H3/t5-,7-/m0/s1
InChI Key:
ZQYAHWIDUZRFMZ-FSPLSTOPSA-N
SMILES:
COC1=CC=C[C@@H]([C@@H]1O)O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
142.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
142.154g/mol
Monoisotopic Mass:
142.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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