[1-(1,3-Benzodioxol-5-yl)ethylidene]malononitrile
Basic information
- CAS
5142-14-3- Standard SMILES
CC(=C(C#N)C#N)c1ccc2c(c1)OCO2- InChIKey
UAHLKBOTQLNWCK-UHFFFAOYSA-N- Molecular formula
- C12H8N2O2
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.0585775
Names & identifiers
- Preferred name
- [1-(1,3-Benzodioxol-5-yl)ethylidene]malononitrile
- IUPAC
- 2-[1-(1,3-benzodioxol-5-yl)ethylidene]propanedinitrile
Names & synonyms
301357-18-6[1-(1,3-benzodioxol-5-yl)ethylidene]malononitrile2-[1-(2H-1,3-benzodioxol-5-yl)ethylidene]propanedinitrile2-[1-(1,3-benzodioxol-5-yl)ethylidene]malononitrile2-[1-(1,3-benzodioxol-5-yl)ethylidene]propanedinitrile2-(1-(Benzo[d][1,3]dioxol-5-yl)ethylidene)malononitrile5142-14-3CBMicro_009224Oprea1_270710DTXSID70965738HMS1787D15SMSF0003719
Show more names
MFCD00447472AKOS001061599CB12318BIM-0009218.P001CS-030496910T-0216Z56885722[1-(2H-1,3-Benzodioxol-5-yl)ethylidene]propanedinitrile
Database identifiers
- CAS
5142-14-3- PubChem CID
- 746461
- DTXSID
DTXSID70965738
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 391
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…