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1086380-04-2 | 5-(1H-Imidazol-4-yl)thiophene-2-carboxylic acid
CAS No: 1086380-04-2 Catalog No: AG01F9PM MDL No:
Product Description
Catalog Number:
AG01F9PM
Chemical Name:
5-(1H-Imidazol-4-yl)thiophene-2-carboxylic acid
CAS Number:
1086380-04-2
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
5-(1H-imidazol-5-yl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c11-8(12)7-2-1-6(13-7)5-3-9-4-10-5/h1-4H,(H,9,10)(H,11,12)
InChI Key:
HBDIVTWZROMIHR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)c1c[nH]cn1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.208g/mol
Monoisotopic Mass:
194.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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