CAS 124267-26-1 3-Ethynylcyclohex-2-en-1-one (HCID 14570795)

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Basic information

CAS: 124267-26-1
Standard SMILES: C#CC1=CC(=O)CCC1
InChIKey: HPMWHVMJEUBHPB-UHFFFAOYSA-N
Molecular formula: C8H8O
Average molar mass: 120.15 g/mol
Monoisotopic mass: 120.05751488

Names & identifiers

Preferred name: 3-Ethynylcyclohex-2-en-1-one
IUPAC: 3-ethynylcyclohex-2-en-1-one
English name: 2-Cyclohexen-1-one, 3-ethynyl-
Molecular formula: C8H8O
Molecular weight: 120.15

Names & synonyms

3-Ethynylcyclohex-2-en-1-one124267-26-1DTXSID60561783RefChem:279320DTXCID205125593-ethynyl-2-cyclohexen-1-one3-ethynyl-2-cyclohexenone2-Cyclohexen-1-one, 3-ethynyl-MFCD246881873-Ethynyl-cyclohex-2-enoneSCHEMBL2742713-ethynyl-cyclohex-2-en-1-one

Show more names

HPMWHVMJEUBHPB-UHFFFAOYSA-NSY250093CS-0057923

Database identifiers

CAS: 124267-26-1
PubChem CID: 14570795
DTXSID: DTXSID60561783
Nikkaji: J275.644G

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 202

Physicochemical properties

storage temp.: Store at Room Tem.
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501