| CAS Number | 885949-59-7 |
| Catalog Number | AG00IRFL(AGN-PC-0WAS00) |
| Chemical Name | 2-(4-Methoxyphenyl)nicotinaldehyde |
| IUPAC Name | 2-(4-methoxyphenyl)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C13H11NO2/c1-16-12-6-4-10(5-7-12)13-11(9-15)3-2-8-14-13/h2-9H,1H3 |
| InChI Key | WMJFIXDFODEDNR-UHFFFAOYSA-N |
| MDL Number | MFCD06659546 |
| Molecular Formula | C13H11NO2 |
| Molecular Weight | 213.2319 |
| SMILES | O=CC1(=C(N=CC=C1)C2(=CC=C(OC)C=C2)) |
| Synonyms | 2-(4-methoxyphenyl)nicotinaldehyde,
2-(4-methoxyphenyl)pyridine-3-carbaldehyde,
885949-59-7,
methoxyphenylnicotinaldehyde,
AC1MC8J2,
CTK7A3287,
KS-00001U9A,
ZINC3883632,
MFCD06659546,
SBB094796,
AKOS005070068,
RP12381,
AJ-46824,
TR-063030,
2-(4-methoxyphenyl)nicotinaldehyde, AldrichCPR,
1Y-0733,
ZINC03883632,
CID2763592,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.236g/mol |
| Monoisotopic Mass | 213.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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