Basic information
- CAS
31952-24-6- Standard SMILES
C#CC(=O)OCCCC- InChIKey
MVRXKXMBNDEGTE-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- N-Butyl propiolate
- IUPAC
- butyl prop-2-ynoate
- English name
- n-Butyl propiolate
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
N-BUTYL PROPIOLATE31952-24-6DTXSID60463617RefChem:363525DTXCID50414436Butyl Prop-2-ynoatebutyl propiolateSCHEMBL2949592SCHEMBL8120658MVRXKXMBNDEGTE-UHFFFAOYSA-NAKOS0062750822-Propynoic acid, butyl ester
Database identifiers
- CAS
31952-24-6- PubChem CID
- 11366990
- DTXSID
DTXSID60463617- Nikkaji
- J776.614I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 129
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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