3-Butenoic acid, 1-(4-(ethenyloxy)butoxy)ethyl ester

HCID 60562

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Basic information

CAS: 112753-80-7
Standard SMILES: C=CCC(=O)OCCOCCCCOC=C
InChIKey: ZOMDAIYEGRFTHN-UHFFFAOYSA-N
Molecular formula: C12H20O4
Average molar mass: 228.28 g/mol
Monoisotopic mass: 228.13615911

Names & identifiers

Preferred name: 3-Butenoic acid, 1-(4-(ethenyloxy)butoxy)ethyl ester
IUPAC: 2-(4-ethenoxybutoxy)ethyl but-3-enoate

Names & synonyms

BRN 49983953-BUTENOIC ACID, 1-(4-(ETHENYLOXY)BUTOXY)ETHYL ESTER1-(4-(Ethenyloxy)butoxy)ethyl 3-butenoate112753-80-7DTXSID10150161RefChem:277895DTXCID90726522-[4-(ethenyloxy)butoxy]ethyl but-3-enoate

Database identifiers

CAS: 112753-80-7
PubChem CID: 60562
DTXSID: DTXSID10150161

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 12
Heavy atoms: 16
Formal charge: 0
Complexity: 201

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