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Home > Aldehydes > 1013835-89-6
1013835-89-6 | 1H-Pyrazole-4-carboxaldehyde, 1-(3-methoxyphenyl)-
CAS No: 1013835-89-6 Catalog No: AG0004CG MDL No:MFCD13874001
Product Description
Catalog Number:
AG0004CG
Chemical Name:
1H-Pyrazole-4-carboxaldehyde, 1-(3-methoxyphenyl)-
CAS Number:
1013835-89-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
MDL Number:
MFCD13874001
IUPAC Name:
1-(3-methoxyphenyl)pyrazole-4-carbaldehyde
InChI:
InChI=1S/C11H10N2O2/c1-15-11-4-2-3-10(5-11)13-7-9(8-14)6-12-13/h2-8H,1H3
InChI Key:
CYYDFDPOVHJFNU-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1ncc(c1)C=O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/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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