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120841-95-4 | 3-METHYL-1-VINYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS No: 120841-95-4 Catalog No: AG00756E MDL No:MFCD03167206
Product Description
Catalog Number:
AG00756E
Chemical Name:
3-METHYL-1-VINYL-1H-PYRAZOLE-4-CARBALDEHYDE
CAS Number:
120841-95-4
Molecular Formula:
C7H8N2O
Molecular Weight:
136.1512
MDL Number:
MFCD03167206
IUPAC Name:
1-ethenyl-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C7H8N2O/c1-3-9-4-7(5-10)6(2)8-9/h3-5H,1H2,2H3
InChI Key:
MGWNBNOCZFGASD-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)C=C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.064g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
136.154g/mol
Monoisotopic Mass:
136.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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