3-Thiopheneacetic acid

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Catalog Number
ACM6964212
Product Name
3-Thiopheneacetic acid
Structure
Structure
CAS
6964-21-2
Category
Thiophenes
Synonyms
3-Thienylacetic acid
IUPAC Name
2-thiophen-3-ylacetic acid
Molecular Weight
142.18g/mol
Molecular Formula
C6H6O2S
Canonical SMILES
C1=CSC=C1CC(=O)O
InChI
InChI=1S/C6H6O2S/c7-6(8)3-5-1-2-9-4-5/h1-2,4H,3H2,(H,7,8)
InChI Key
RCNOGGGBSSVMAS-UHFFFAOYSA-N
Melting Point
73-76 °C(lit.)
Appearance
Beige Powder
Complexity
114
Covalently-Bonded Unit Count
1
EC Number
230-166-1
Exact Mass
142.008851g/mol
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
9
Monoisotopic Mass
142.008851g/mol
NSC Number
66315
Rotatable Bond Count
2
UNII
3B235D2C4J
XLogP3
1.1
MSDS
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COA
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Spec Sheet
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