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Home > Aldehydes > 1934713-44-6
1934713-44-6 | 4-(1H-PYRAZOL-4-YL)THIOPHENE-2-CARBALDEHYDE
CAS No: 1934713-44-6 Catalog No: AG01CA2X MDL No:MFCD22410551
Product Description
Catalog Number:
AG01CA2X
Chemical Name:
4-(1H-PYRAZOL-4-YL)THIOPHENE-2-CARBALDEHYDE
CAS Number:
1934713-44-6
Molecular Formula:
C8H6N2OS
Molecular Weight:
178.2110
MDL Number:
MFCD22410551
IUPAC Name:
4-(1H-pyrazol-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C8H6N2OS/c11-4-8-1-6(5-12-8)7-2-9-10-3-7/h1-5H,(H,9,10)
InChI Key:
RJOFGWXTNUMKAY-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)c1c[nH]nc1
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:
1.3
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