CAS 1878-23-5 4-Oxo-4-(thiophen-3-yl)butanoic acid (HCID 315657)

Substructure search Find similar structures

Basic information

CAS: 1878-23-5
Standard SMILES: O=C(O)CCC(=O)c1ccsc1
InChIKey: YBGPMJKHIYTKIG-UHFFFAOYSA-N
Molecular formula: C8H8O3S
Average molar mass: 184.21 g/mol
Monoisotopic mass: 184.01941512

Names & identifiers

Preferred name: 4-Oxo-4-(thiophen-3-yl)butanoic acid
IUPAC: 4-oxo-4-thiophen-3-ylbutanoic acid
English name: 4-Oxo-4-(thiophen-3-yl)butanoic acid
Molecular formula: C8H8O3S
Molecular weight: 184.21

Names & synonyms

4-oxo-4-(thiophen-3-yl)butanoic acid1878-23-54-oxo-4-thiophen-3-ylbutanoic acid4-Oxo-4-(3-thienyl)butanoic acidNSC2411583-(3-thenoyl)propionic acidSCHEMBL6832508DTXSID00311325YBGPMJKHIYTKIG-UHFFFAOYSA-NMFCD184518504-oxo-4-(thiophen-3-yl)butanoicacidAKOS006370202

Show more names

3-Thiophenebutanoic acid, γ-oxo-

NSC-241158P17003

Database identifiers

CAS: 1878-23-5
PubChem CID: 315657
DTXSID: DTXSID00311325

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 82.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 191

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501