| CAS Number | 680185-89-1 |
| Catalog Number | AG00G1Q3(AGN-PC-04FJ9J) |
| Chemical Name | 3-(2-Methoxyphenoxy)propanal |
| IUPAC Name | 3-(2-methoxyphenoxy)propanal |
| InChI | InChI=1S/C10H12O3/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h2-3,5-7H,4,8H2,1H3 |
| InChI Key | AEPRZNOOGRRPFB-UHFFFAOYSA-N |
| MDL Number | MFCD03425063 |
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.2005 |
| SMILES | COC1=C(OCCC=O)C=CC=C1 |
| Synonyms | Propanal, 3-(2-methoxyphenoxy)- (9CI),
3-(2-methoxyphenoxy)propanal,
SCHEMBL11470281,
CTK7I0802,
AKOS012340082,
680185-89-1,
3-(2-METHOXYPHENOXY)PROPIONALDEHYDE,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.203g/mol |
| Monoisotopic Mass | 180.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number