| CAS Number | 5405-83-4 |
| Catalog Number | AG01A3ZC(AGN-PC-0SGFAJ) |
| Chemical Name | 2-(4-Methoxyphenyl)propanal |
| IUPAC Name | 2-(4-methoxyphenyl)propanal |
| InChI | InChI=1S/C10H12O2/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-8H,1-2H3 |
| InChI Key | JDZPCXLQZLJIPR-UHFFFAOYSA-N |
| MDL Number | MFCD11934515 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| NSC Number | 5235 |
| SMILES | COC1=CC=C(C(C=O)C)C=C1 |
| Synonyms | 2-(4-methoxyphenyl)propanal,
5405-83-4,
(2S)-2-(4-methoxyphenyl)propanal,
147922-82-5,
NSC5235,
AC1Q6PKX,
AC1L59VH,
SCHEMBL615428,
NSC-5235,
2-(4-methoxy-phenyl)-propionaldehyde,
AKOS014313739,
NE22478,
TC-069971,
F1967-2634,
2-(p-Anisyl)propanal,
AR-1C9635,
CID221169,
6156-88-3,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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