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Home > Aldehydes > 154926-98-4
154926-98-4 | 1H-Pyrazole-4-carboxaldehyde, 3-ethyl-
CAS No: 154926-98-4 Catalog No: AG001NHI MDL No:MFCD03789032
Product Description
Catalog Number:
AG001NHI
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 3-ethyl-
CAS Number:
154926-98-4
Molecular Formula:
C6H8N2O
Molecular Weight:
124.1405
MDL Number:
MFCD03789032
IUPAC Name:
5-ethyl-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C6H8N2O/c1-2-6-5(4-9)3-7-8-6/h3-4H,2H2,1H3,(H,7,8)
InChI Key:
BRWYDRSSDKRKBX-UHFFFAOYSA-N
SMILES:
CCc1n[nH]cc1C=O
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:
1
Isotope Atom Count:
0
Molecular Weight:
124.143g/mol
Monoisotopic Mass:
124.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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