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Home > Aldehydes > 879896-48-7
879896-48-7 | 1H-Pyrazole-5-carboxaldehyde,1-methyl-3-(2-thienyl)-
CAS No: 879896-48-7 Catalog No: AG008EBH MDL No:MFCD08435884
Product Description
Catalog Number:
AG008EBH
Chemical Name:
1H-Pyrazole-5-carboxaldehyde,1-methyl-3-(2-thienyl)-
CAS Number:
879896-48-7
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD08435884
IUPAC Name:
2-methyl-5-thiophen-2-ylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C9H8N2OS/c1-11-7(6-12)5-8(10-11)9-3-2-4-13-9/h2-6H,1H3
InChI Key:
RKARRIJZFBGKSH-UHFFFAOYSA-N
SMILES:
O=Cc1cc(nn1C)c1cccs1
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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