2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester
Basic information
- CAS
25779-93-5- Standard SMILES
O=C(O)/C=C/C(=O)OCCO- InChIKey
MAIIXYUYRNFKPL-OWOJBTEDSA-N- Molecular formula
- C6H8O5
- Average molar mass
- 160.12 g/mol
- Monoisotopic mass
- 160.03717335
Names & identifiers
- Preferred name
- 2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester
- IUPAC
- (E)-4-(2-hydroxyethoxy)-4-oxobut-2-enoic acid
- English name
- (2-hydroxyethyl) hydrogen fumarate
- Molecular formula
- C6H8O5
- Molecular weight
- 160.12
Names & synonyms
2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) esterEINECS 247-260-325779-93-52-Butenedioic acid (2E)-, mono(2-hydroxyethyl) esterRefChem:85953(2-Hydroxyethyl) hydrogen fumarateSCHEMBL608165(2E)-4-(2-HYDROXYETHOXY)-4-OXOBUT-2-ENOIC ACIDMAIIXYUYRNFKPL-OWOJBTEDSA-NDTXSID701227028NS00048397(E)-2-Butenedioic acid hydrogen 1-(2-hydroxyethyl) ester
Database identifiers
- CAS
25779-93-5- PubChem CID
- 5961160
- DTXSID
DTXSID701227028- EC Number
- 247-260-3
- Nikkaji
- J287.332J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- EPA Substance Registry System
- 2 · 2-Butenedioic acid (2E)-, mono(2-hydroxyethyl) ester (25779-93-5)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Butenedioic acid (2E)-, 1-(2-hydroxyethyl) ester: INACTIVE
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Compound notes
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