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Home > Aldehydes > 1250582-63-8
1250582-63-8 | 1-ethyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CAS No: 1250582-63-8 Catalog No: AG01AI9C MDL No:MFCD14619957
Product Description
Catalog Number:
AG01AI9C
Chemical Name:
1-ethyl-3-phenyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1250582-63-8
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD14619957
IUPAC Name:
1-ethyl-3-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-2-14-8-11(9-15)12(13-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChI Key:
YKCPYVUELNKYJD-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1c1ccccc1)CC
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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