CAS 25078-62-0 2-Propenenitrile, 3-hydroxy- (HCID 3054073)

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Basic information

CAS: 25078-62-0
Standard SMILES: N#CC=CO
InChIKey: VLQQXSKNYWXJKT-UHFFFAOYSA-N
Molecular formula: C3H3NO
Average molar mass: 69.06 g/mol
Monoisotopic mass: 69.02146372

Names & identifiers

Preferred name: 2-Propenenitrile, 3-hydroxy-
IUPAC: 3-hydroxyprop-2-enenitrile

Names & synonyms

25078-62-02-Propenenitrile, 3-hydroxy-DTXSID80388878RefChem:266230DTXCID103397973-hydroxyacrylonitrilecyanovinylalcohol3-HYDROXYPROP-2-ENENITRILE(2E)-3-HYDROXYACRYLONITRILESCHEMBL729023SCHEMBL28431116VLQQXSKNYWXJKT-UHFFFAOYSA-N

Show more names

AB85343

Database identifiers

CAS: 25078-62-0
PubChem CID: 3054073
DTXSID: DTXSID80388878

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 44 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 76.1

Related reactions

9 records

New reaction record

HRID 88516As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119119As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 247626As reactantuspto-grants-1987_11

HRID 703266As reactantuspto-grants-1991_01

HRID 803516As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 811007As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1194118As reactantuspto-grants-1989_03

HRID 2331641As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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