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1313726-01-0 | 1H-thieno[3,2-c]pyrazole-5-carboxylic acid
CAS No: 1313726-01-0 Catalog No: AG000W1E MDL No:
Product Description
Catalog Number:
AG000W1E
Chemical Name:
1H-thieno[3,2-c]pyrazole-5-carboxylic acid
CAS Number:
1313726-01-0
Molecular Formula:
C6H4N2O2S
Molecular Weight:
168.1732
IUPAC Name:
1H-thieno[3,2-c]pyrazole-5-carboxylic acid
InChI:
InChI=1S/C6H4N2O2S/c9-6(10)4-1-3-5(11-4)2-7-8-3/h1-2H,(H,7,8)(H,9,10)
InChI Key:
VZMXFSCEGDLKRG-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)[nH]nc2
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.17g/mol
Monoisotopic Mass:
167.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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