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Home > Aldehydes > 154927-01-2
154927-01-2 | 1H-Pyrazole-4-carboxaldehyde, 1-methyl-5-phenyl-
CAS No: 154927-01-2 Catalog No: AG001NHH MDL No:MFCD04115389
Product Description
Catalog Number:
AG001NHH
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-methyl-5-phenyl-
CAS Number:
154927-01-2
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD04115389
IUPAC Name:
1-methyl-5-phenylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:
DLMVCAXLQMJYHP-UHFFFAOYSA-N
SMILES:
O=Cc1cnn(c1c1ccccc1)C
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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