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26033-27-2 | 1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)-
CAS No: 26033-27-2 Catalog No: AG002RFP MDL No:MFCD02677688
Product Description
Catalog Number:
AG002RFP
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-(2-thienyl)-
CAS Number:
26033-27-2
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD02677688
IUPAC Name:
5-thiophen-2-yl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H6N2OS/c11-5-6-4-9-10-8(6)7-2-1-3-12-7/h1-5H,(H,9,10)
InChI Key:
DDQIKYLVCQKLHT-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1cccs1
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.209g/mol
Monoisotopic Mass:
178.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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