3-Butenoic acid, ion(1-)

HCID 6971089
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Basic information

CAS
54467-93-5
Standard SMILES
C=CCC(=O)[O-]
InChIKey
PVEOYINWKBTPIZ-UHFFFAOYSA-M
Molecular formula
C4H5O2-
Average molar mass
85.08 g/mol
Monoisotopic mass
85.02950298

Overview

But-3-enoate is a butenoate having the double bond at the 3-position. It is a conjugate base of a but-3-enoic acid.

Names & identifiers

Preferred name
3-Butenoic acid, ion(1-)
IUPAC
but-3-enoate

Names & synonyms

3-Butenoic acid, ion(1-)DTXSID40131281054467-93-5RefChem:1067488DTXCID401742657but-3-enoatebeta-butenoate2-propenylcarboxylateCHEBI:35900AKOS024256261Q27116613

Database identifiers

CAS
54467-93-5
PubChem CID
6971089
DTXSID
DTXSID401312810
ChEBI
CHEBI:35900
Nikkaji
J1.160.182K

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
40.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
6

Related reactions

16 records
New reaction record

Compound notes

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