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174672-58-3 | 2-Thiophenecarboxylic acid, 5-ethynyl-
CAS No: 174672-58-3 Catalog No: AG001ZVK MDL No:MFCD09759047
Product Description
Catalog Number:
AG001ZVK
Chemical Name:
2-Thiophenecarboxylic acid, 5-ethynyl-
CAS Number:
174672-58-3
Molecular Formula:
C7H4O2S
Molecular Weight:
152.1705
MDL Number:
MFCD09759047
IUPAC Name:
5-ethynylthiophene-2-carboxylic acid
InChI:
InChI=1S/C7H4O2S/c1-2-5-3-4-6(10-5)7(8)9/h1,3-4H,(H,8,9)
InChI Key:
CBDSPXPVZWMEOH-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(s1)C(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.993g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.167g/mol
Monoisotopic Mass:
151.993g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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