CAS 2424-59-1 1-Cyclohexyl (2Z)-2-butenedioate (HCID 6913007)

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Basic information

CAS: 2424-59-1
Standard SMILES: O=C(O)/C=C\C(=O)OC1CCCCC1
InChIKey: ZMQWRASVUXJXGM-SREVYHEPSA-N
Molecular formula: C10H14O4
Average molar mass: 198.22 g/mol
Monoisotopic mass: 198.08920892

Names & identifiers

Preferred name: 1-Cyclohexyl (2Z)-2-butenedioate
IUPAC: (Z)-4-cyclohexyloxy-4-oxobut-2-enoic acid
English name: cyclohexyl hydrogen maleate
Molecular formula: C10H16O5
Molecular weight: 216.23104

Names & synonyms

2424-59-1RefChem:1970201-Cyclohexyl (2Z)-2-butenedioatemonocyclohexyl maleate2-Butenedioic acid (2Z)-, 1-cyclohexyl esterQW25FF76LL(2Z)-4-(cyclohexyloxy)-4-oxobut-2-enoic acidSCHEMBL528629maleic acid-monocyclohexyl esterDTXSID2062404ZMQWRASVUXJXGM-SREVYHEPSA-NEinecs 219-359-1

Show more names

cyclohexyl hydrogen maleateMaleic acid 1-cyclohexyl ester2-Butenedioic acid (2Z)-, monocyclohexyl ester

Database identifiers

CAS: 2424-59-1
PubChem CID: 6913007
DTXSID: DTXSID2062404
UNII: QW25FF76LL
EC Number: 219-359-1
Nikkaji: J87.279B

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 239

Physicochemical properties

FDA UNII: 25 FF76LL · QW25FF76LL
EPA Substance Registry System: 2 · 2-Butenedioic acid (2Z)-, monocyclohexyl ester (2424-59-1)
TSCA: TSCA listed