Basic information
- CAS
3882-09-5- Standard SMILES
C=CCOC(=O)CCC(=O)[O-]- InChIKey
MBYVZGBOJWAZJZ-UHFFFAOYSA-M- Molecular formula
- C7H9O4-
- Average molar mass
- 157.14 g/mol
- Monoisotopic mass
- 157.05008376
Names & identifiers
- Preferred name
- Butanedioic acid, mono-2-propenyl ester
- IUPAC
- 4-oxo-4-prop-2-enoxybutanoate
- English name
- Butanedioic acid, 1-(2-propen-1-yl) ester
- Molecular formula
- C7H10O4
- Molecular weight
- 158.15
Names & synonyms
Butanedioic acid, mono-2-propenyl ester4-oxo-4-prop-2-enoxybutanoateDTXSID70366963SY4232534-Oxo-4-[(prop-2-en-1-yl)oxy]butanoateButanedioic acid, 1-(2-propen-1-yl) ester
Database identifiers
- CAS
3882-09-5- PubChem CID
- 2201711
- DTXSID
DTXSID70366963
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- -1
- Complexity
- 156
Physicochemical properties
- Melting point
- 5 °C · 5 °C
- Boiling point
- 148 °C · 148 °C(Press: 8 Torr)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- pka
- 4.47 · 4.47±0.17(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers9 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…