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Home > Aldehydes > 154927-02-3
154927-02-3 | 1-Benzyl-5-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 154927-02-3 Catalog No: AG01EU92 MDL No:
Product Description
Catalog Number:
AG01EU92
Chemical Name:
1-Benzyl-5-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
154927-02-3
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
IUPAC Name:
1-benzyl-5-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O/c1-10-12(9-15)7-13-14(10)8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChI Key:
RXFUVCOXOVBENJ-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1C)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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