2-Butenedioic acid (2Z)-, butyl ester

HCID 27664

Notes Reactions

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Basic information

CAS: 68186-71-0
Standard SMILES: CCCCOC(=O)C=CC(=O)O
InChIKey: UTOVMEACOLCUCK-UHFFFAOYSA-N
Molecular formula: C8H12O4
Average molar mass: 172.18 g/mol
Monoisotopic mass: 172.07355886

Names & identifiers

Preferred name: 2-Butenedioic acid (2Z)-, butyl ester
IUPAC: 4-butoxy-4-oxobut-2-enoic acid

Names & synonyms

2-Butenedioic acid (2Z)-, butyl esterButyl alcohol, maleic acid ester68186-71-0DTXSID4071211RefChem:85977DTXCID3045647mono-Butyl maleateMONO-BUTYL FUMARATESCHEMBL43165LCA53783NS00077584

Database identifiers

CAS: 68186-71-0
PubChem CID: 27664
DTXSID: DTXSID4071211

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 183

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butenedioic acid (2Z)-, butyl ester: INACTIVE

Related reactions

1 records

New reaction record

HRID 668662As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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