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Home >> Chemical Listing >> Page 429 >> (5S,6R)-5,6-Dihydroxy-1,3-Cyclohexadiene-1-Carbonitrile

(5S,6R)-5,6-Dihydroxy-1,3-Cyclohexadiene-1-Carbonitrile
[CAS# 138769-96-7]

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Identification
Name (5S,6R)-5,6-Dihydroxy-1,3-Cyclohexadiene-1-Carbonitrile
Synonyms (+)-CIS-2(R),3(S)-2,3-DIHYDROXY-2,3-DIHYDROBENZONITRILE; (2R,3S)-2,3-dihydroxy-2,3-dihydrobenzonitrile; (5S,6R)-5,6-dihydroxycyclohexa-1,3-diene-1-carbonitrile
Molecular Structure CAS#: 138769-96-7, (5S,6R)-5,6-Dihydroxy-1,3-Cyclohexadiene-1-Carbonitrile
Molecular Formula C7H7NO2
Molecular Weight 137.14
CAS Registry Number 138769-96-7
SMILES N#C\C1=C\C=C/[C@H](O)[C@@H]1O
InChI 1S/C7H7NO2/c8-4-5-2-1-3-6(9)7(5)10/h1-3,6-7,9-10H/t6-,7+/m0/s1
InChIKey NKIDLXZFLYJKGO-NKWVEPMBSA-N
Properties
Density 1.337g/cm3 (Cal.)
Boiling point 341.248°C at 760 mmHg (Cal.)
Flash point 160.181°C (Cal.)
Refractive index 1.598 (Cal.)
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