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Home > Aldehydes > 153687-35-5
153687-35-5 | 1-(4-Methoxybenzyl)-1H-pyrazole-4-carbaldehyde
CAS No: 153687-35-5 Catalog No: AG007HPJ MDL No:MFCD22201150
Product Description
Catalog Number:
AG007HPJ
Chemical Name:
1-(4-Methoxybenzyl)-1H-pyrazole-4-carbaldehyde
CAS Number:
153687-35-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD22201150
IUPAC Name:
1-[(4-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-16-12-4-2-10(3-5-12)7-14-8-11(9-15)6-13-14/h2-6,8-9H,7H2,1H3
InChI Key:
HHSVPEKERHITDE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1ncc(c1)C=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:
1.3
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