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Home > Aldehydes > 162468-77-1
162468-77-1 | 1H-Pyrazole-5-carboxaldehyde, 1-[(4-methoxyphenyl)methyl]-
CAS No: 162468-77-1 Catalog No: AG001T6K MDL No:MFCD08703188
Product Description
Catalog Number:
AG001T6K
Chemical Name:
1H-Pyrazole-5-carboxaldehyde, 1-[(4-methoxyphenyl)methyl]-
CAS Number:
162468-77-1
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD08703188
IUPAC Name:
2-[(4-methoxyphenyl)methyl]pyrazole-3-carbaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-16-12-4-2-10(3-5-12)8-14-11(9-15)6-7-13-14/h2-7,9H,8H2,1H3
InChI Key:
NESSLHBKUFIHKU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nccc1C=O
Properties
Complexity:
227
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:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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