trans-3-(2-Thenoyl)acrylic Acid

HCID 5773483
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Basic information

Standard SMILES
O=C(O)/C=C/C(=O)c1cccs1
InChIKey
FTZYPJRMSXWPEO-ONEGZZNKSA-N
Molecular formula
C8H6O3S
Average molar mass
182.2 g/mol
Monoisotopic mass
182.00376522

Names & identifiers

Preferred name
trans-3-(2-Thenoyl)acrylic Acid
IUPAC
(E)-4-oxo-4-thiophen-2-ylbut-2-enoic acid

Names & synonyms

71150-02-2trans-3-(2-Thenoyl)acrylic Acid(2E)-4-Oxo-4-(thiophen-2-yl)but-2-enoic acid(E)-4-oxo-4-thiophen-2-ylbut-2-enoic acid(E)-4-Oxo-4-(thiophen-2-yl)but-2-enoic acid4-(2-Thienyl)-4-oxocrotonic acid(2E)-4-OXO-4-(2-THIENYL)-2-BUTENOIC ACIDSCHEMBL11329160FTZYPJRMSXWPEO-ONEGZZNKSA-NMFCD00159559AKOS003597214H58451

Database identifiers

PubChem CID
5773483

Properties

Computed structural properties

XLogP
1
Topological polar surface area
82.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
12

Related reactions

2 records
New reaction record

Linked notes

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