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3-Cyclohexene-1-carbonitrile, 2-hydroxy-6,6-dimethyl-

HCID 178765052
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Basic information

CAS
343865-01-0
Standard SMILES
CC1(C)CC=CC(O)C1C#N
InChIKey
JTOQCKTYENSCGR-UHFFFAOYSA-N
Molecular formula
C9H13NO
Average molar mass
151.21 g/mol

Names & identifiers

Preferred name
3-Cyclohexene-1-carbonitrile, 2-hydroxy-6,6-dimethyl-
IUPAC
2-hydroxy-6,6-dimethylcyclohex-3-ene-1-carbonitrile
English name
3-Cyclohexene-1-carbonitrile, 2-hydroxy-6,6-dimethyl- (9CI)
Molecular formula
C9H13NO
Molecular weight
151.20562

Names & synonyms

343865-01-0DB-2715823-CYCLOHEXENE-1-CARBONITRILE, 2-HYDROXY-6,6-DIMETHYL-3-Cyclohexene-1-carbonitrile, 2-hydroxy-6,6-dimethyl- (9CI)

Database identifiers

CAS
343865-01-0

Properties

Computed structural propertiesFilling in

XLogP
1.7
Topological polar surface area
44 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11
Formal charge
0
Complexity
221

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