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Home > Aldehydes > 942319-16-6
942319-16-6 | 1-Ethyl-1H-pyrazole-3-carbaldehyde
CAS No: 942319-16-6 Catalog No: AG00604N MDL No:MFCD03419802
Product Description
Catalog Number:
AG00604N
Chemical Name:
1-Ethyl-1H-pyrazole-3-carbaldehyde
CAS Number:
942319-16-6
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD03419802
IUPAC Name:
1-ethylpyrazole-3-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-2-8-4-3-6(5-9)7-8/h3-5H,2H2,1H3
InChI Key:
ZARQNKUDEQVTTD-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(n1)CC
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
124.064g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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