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Home > Aldehydes > 423768-44-9
423768-44-9 | 1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde
CAS No: 423768-44-9 Catalog No: AG003D0A MDL No:MFCD03407348
Product Description
Catalog Number:
AG003D0A
Chemical Name:
1-(4-Methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxaldehyde
CAS Number:
423768-44-9
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD03407348
IUPAC Name:
1-(4-methoxyphenyl)-5-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-9-10(8-15)7-13-14(9)11-3-5-12(16-2)6-4-11/h3-8H,1-2H3
InChI Key:
SYBPJZRAGTVHTN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1ncc(c1C)C=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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