4-hydroxy-4-(thiophen-3-yl)but-3-en-2-one

4-hydroxy-4-(thiophen-3-yl)but-3-en-2-one

CAS: 3115-63-7

Formula: C8H8O2S

SMILES: CC(=O)C=C(O)C1=CSC=C1

IUPAC: 4-hydroxy-4-(thiophen-3-yl)but-3-en-2-one

InChI: InChI=1S/C8H8O2S/c1-6(9)4-8(10)7-2-3-11-5-7/h2-5,10H,1H3

Composition: C (57.12%), H (4.79%), O (19.02%), S (19.06%)

Molar Mass: 168.21

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	168.024500672
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	AYQWCTAPQZMMPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.61
Topological Polar Surface Area	37.3
Polarizability	16.81
Ring Count	1
Rotatable Bond Count	2

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