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436086-89-4 | Benzaldehyde, 4-methoxy-3-(1H-pyrazol-1-ylmethyl)-
CAS No: 436086-89-4 Catalog No: AG0073IQ MDL No:MFCD03074493
Product Description
Catalog Number:
AG0073IQ
Chemical Name:
Benzaldehyde, 4-methoxy-3-(1H-pyrazol-1-ylmethyl)-
CAS Number:
436086-89-4
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD03074493
IUPAC Name:
4-methoxy-3-(pyrazol-1-ylmethyl)benzaldehyde
InChI:
InChI=1S/C12H12N2O2/c1-16-12-4-3-10(9-15)7-11(12)8-14-6-2-5-13-14/h2-7,9H,8H2,1H3
InChI Key:
KLYOPVOHCSPLEG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Cn1cccn1)C=O
Properties
Complexity:
235
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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