Basic information
- CAS
22581-05-1- Standard SMILES
CC=C(C#N)OC(C)=O- InChIKey
KDWLJRLMMTVSSP-UHFFFAOYSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.04767847
Names & identifiers
- Preferred name
- 1-Cyanoprop-1-enyl acetate
- IUPAC
- 1-cyanoprop-1-enyl acetate
- English name
- 1-cyanoprop-1-enyl acetate
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
1-Cyanoprop-1-enyl acetate22581-05-12-acetoxybutenenitrileSCHEMBL28696591-cyanoprop-1-en-1-yl acetateDTXSID10945236KDWLJRLMMTVSSP-UHFFFAOYSA-NEINECS 245-101-2NS000496723-acetoxy-3-butenenitrile2-(Acetyloxy)-2-butenenitrile2-Butenenitrile, 2-(acetyloxy)-
Show more names
aceticacid1-cyano-2-propenylester95+%
Database identifiers
- CAS
22581-05-1- PubChem CID
- 90809
- DTXSID
DTXSID10945236- EC Number
- 245-101-2
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- RIDADR
- 2810 · 2810
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 2810
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…