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1231192-14-5 | 5-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carbaldehyde
CAS No: 1231192-14-5 Catalog No: AG01B92Q MDL No:MFCD22410646
Product Description
Catalog Number:
AG01B92Q
Chemical Name:
5-(1-methyl-1H-pyrazol-4-yl)thiophene-2-carbaldehyde
CAS Number:
1231192-14-5
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD22410646
IUPAC Name:
5-(1-methylpyrazol-4-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C9H8N2OS/c1-11-5-7(4-10-11)9-3-2-8(6-12)13-9/h2-6H,1H3
InChI Key:
JWCGLWZQQRNPQA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1cnn(c1)C
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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