Basic information
- CAS
474024-38-9- Standard SMILES
N#CC1=CC(=C2OCCO2)c2ccccc21- InChIKey
LOFHCHIYFDFUNK-UHFFFAOYSA-N- Molecular formula
- C13H9NO2
- Average molar mass
- 211.22 g/mol
- Monoisotopic mass
- 211.06332853
Names & identifiers
- Preferred name
- 1-(1,3-dioxolan-2-ylidene)-1H-indene-3-carbonitrile
- IUPAC
- 3-(1,3-dioxolan-2-ylidene)indene-1-carbonitrile
- English name
- 3-(1,3-Dioxolan-2-ylidene)-3H-indene-1-carbonitrile
- Molecular formula
- C13H9NO2
- Molecular weight
- 211.22
Names & synonyms
474024-38-91-(1,3-dioxolan-2-ylidene)-1H-indene-3-carbonitrileRefChem:419393610-344-93-[1,3]dioxolan-2-ylidene-3H-indene-1-carbonitrile3-(1,3-DIOXOLAN-2-YLIDENE)-3H-INDENE-1-CARBONITRILESCHEMBL4960379DTXSID10431467LOFHCHIYFDFUNK-UHFFFAOYSA-NAKOS0159662551H-Indene-3-carbonitrile, 1-(1,3-dioxolan-2-ylidene)-
Database identifiers
- CAS
474024-38-9- PubChem CID
- 9834320
- DTXSID
DTXSID10431467- EC Number
- 610-344-9
- Nikkaji
- J2.572.739H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 405
Physicochemical properties
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationStatus: Active Update: 24-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24269
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Suppliers1 total
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
3 records
Compound notes
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