12-Hydroxydodecanenitrile

HCID 10330348

Notes Reactions

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Basic information

CAS: 73782-16-8
Standard SMILES: N#CCCCCCCCCCCCO
InChIKey: SSGNMFSMEJUJNI-UHFFFAOYSA-N
Molecular formula: C12H23NO
Average molar mass: 197.32 g/mol
Monoisotopic mass: 197.17796436

Names & identifiers

Preferred name: 12-Hydroxydodecanenitrile
IUPAC: 12-hydroxydodecanenitrile

Names & synonyms

12-hydroxydodecanenitrile73782-16-8DTXSID40438186RefChem:236392DTXCID4038900812-hydroxydodecanonitrileDodecanenitrile, 12-hydroxy-starbld0004866SCHEMBL1580084SSGNMFSMEJUJNI-UHFFFAOYSA-NAKOS030255122

Database identifiers

CAS: 73782-16-8
PubChem CID: 10330348
DTXSID: DTXSID40438186
Nikkaji: J1.954.701I

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 44 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 10
Heavy atoms: 14
Formal charge: 0
Complexity: 148

Related reactions

6 records

New reaction record

HRID 191796As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 314811As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 904240As productuspto-grants-1980_10

HRID 904241As reactantuspto-grants-1980_10

HRID 1278385As productuspto-grants-1981_07

HRID 1278386As reactantuspto-grants-1981_07

Compound notes

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