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Home > Aldehydes > 153687-32-2
153687-32-2 | 1-benzyl-3-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 153687-32-2 Catalog No: AG01BB8H MDL No:MFCD11180184
Product Description
Catalog Number:
AG01BB8H
Chemical Name:
1-benzyl-3-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
153687-32-2
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD11180184
IUPAC Name:
1-benzyl-3-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-10-12(9-15)8-14(13-10)7-11-5-3-2-4-6-11/h2-6,8-9H,7H2,1H3
InChI Key:
NXRGCJKNIMOLTC-UHFFFAOYSA-N
SMILES:
O=Cc1cn(nc1C)Cc1ccccc1
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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