[2-(Thiophen-3-yl)ethyl]propanedioic acid

HCID 54550536

Notes Reactions

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Basic information

CAS: 19995-16-5
Standard SMILES: O=C(O)C(CCc1ccsc1)C(=O)O
InChIKey: ZJPFZVFMLZINMP-UHFFFAOYSA-N
Molecular formula: C9H10O4S
Average molar mass: 214.24 g/mol
Monoisotopic mass: 214.0299798

Names & identifiers

Preferred name: [2-(Thiophen-3-yl)ethyl]propanedioic acid
IUPAC: 2-(2-thiophen-3-ylethyl)propanedioic acid

Names & synonyms

19995-16-5[2-(Thiophen-3-yl)ethyl]propanedioic acidSCHEMBL4314631DTXSID10712147ZJPFZVFMLZINMP-UHFFFAOYSA-N2-(2-thiophen-3-yl-ethyl)-malonic acid2-Carboxy-4-(3-Thienyl)-Butanoic Acid

Database identifiers

CAS: 19995-16-5
PubChem CID: 54550536
DTXSID: DTXSID10712147

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 14
Formal charge: 0
Complexity: 215

Related reactions

13 records

New reaction record

HRID 343978As productuspto-grants-1999_01

HRID 402127As reactantuspto-grants-2014_06

HRID 442995As productuspto-grants-1999_04

HRID 883615As reactantuspto-grants-2012_08

HRID 962881As productuspto-grants-1998_06

HRID 1033256As productuspto-grants-1994_05

HRID 1082329As productuspto-grants-1996_12

HRID 1517042As reactantuspto-grants-2012_07

Compound notes

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