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2-(thiophen-2-yl)but-2-enedioic acid

2-(thiophen-2-yl)but-2-enedioic acid

CAS: 339016-61-4

Formula: C8H6O4S

SMILES: OC(=O)C=C(C(O)=O)C1=CC=CS1

IUPAC: 2-(thiophen-2-yl)but-2-enedioic acid

InChI: InChI=1S/C8H6O4S/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h1-4H,(H,9,10)(H,11,12)

Composition: C (48.48%), H (3.05%), O (32.29%), S (16.18%)

Molar Mass: 198.19

Atom Count: 19

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.998679847
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey HEWGCRPWYNWBTP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.95
Topological Polar Surface Area 74.6
Polarizability 17.3
Ring Count 1
Rotatable Bond Count 3

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90% <2 Days 339016-61-4 $51.35-$86.31$51.35$63.37$86.31
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