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1152508-57-0 | 3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CAS No: 1152508-57-0 Catalog No: AG01AKCD MDL No:MFCD11180178
Product Description
Catalog Number:
AG01AKCD
Chemical Name:
3-(2-methoxyphenyl)-1-methyl-1H-pyrazole-4-carbaldehyde
CAS Number:
1152508-57-0
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD11180178
IUPAC Name:
3-(2-methoxyphenyl)-1-methylpyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-14-7-9(8-15)12(13-14)10-5-3-4-6-11(10)16-2/h3-8H,1-2H3
InChI Key:
JDYHDIHZDWXMKX-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nn(cc1C=O)C
Properties
Complexity:
247
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:
1.3
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