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117784-24-4 | 1H-Pyrazole-3-carboxylic acid, 4-(3-thienyl)-
CAS No: 117784-24-4 Catalog No: AG000HSZ MDL No:
Product Description
Catalog Number:
AG000HSZ
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 4-(3-thienyl)-
CAS Number:
117784-24-4
Molecular Formula:
C8H6N2O2S
Molecular Weight:
194.2104
IUPAC Name:
4-thiophen-3-yl-1H-pyrazole-5-carboxylic acid
InChI:
InChI=1S/C8H6N2O2S/c11-8(12)7-6(3-9-10-7)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChI Key:
DZMURSZOSRBRDA-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]cc1c1cscc1
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:
1.4
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