Basic information
- CAS
4388-58-3- Standard SMILES
N#CCCC1OCCO1- InChIKey
ILNCXUYVDNKISU-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Names & identifiers
- Preferred name
- 1,3-Dioxolane-2-propiononitrile
- IUPAC
- 3-(1,3-dioxolan-2-yl)propanenitrile
- English name
- 1,3-dioxolane-2-propiononitrile
- Molecular formula
- C6H9NO2
- Molecular weight
- 127.14
Names & synonyms
1,3-Dioxolane-2-propiononitrile3-(1,3-dioxolan-2-yl)propanenitrile4388-58-31,3-dioxolane-2-propanenitrileEINECS 224-502-6BWS884BV2R1,3-Dioxolane-2-propionitrileSCHEMBL1600712DTXSID101959712-(2-cyanoethyl)-1,3-dioxolane3-(1,3-Dioxolan-2-yl)propionitrile3-[1,3]-dioxolan-2-yl-propionitrile
Show more names
1,3-Dioxolane 2-Propane Nitrile3-(1,3-Dioxolane-2-yl)propanenitrile
NS00031373
Database identifiers
- CAS
4388-58-3- PubChem CID
- 78098
- DTXSID
DTXSID10195971- UNII
- BWS884BV2R
- EC Number
- 224-502-6
- Nikkaji
- J205.766B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- FDA UNII
- 884 BV2R · BWS884BV2R
Chemistry & industry
Suppliers2 total
上海遐瑞医药科技有限公司+86 21 61551611
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
12 records
Compound notes
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