| CAS Number | 915922-32-6 |
| Catalog Number | AG00GTSP(AGN-PC-0WB4LA) |
| Chemical Name | 3-Allyl-4-(2-propyn-1-yloxy)benzaldehyde |
| IUPAC Name | 3-prop-2-enyl-4-prop-2-ynoxybenzaldehyde |
| InChI | InChI=1S/C13H12O2/c1-3-5-12-9-11(10-14)6-7-13(12)15-8-4-2/h2-3,6-7,9-10H,1,5,8H2 |
| InChI Key | JYGAJLCRMLQGKX-UHFFFAOYSA-N |
| MDL Number | MFCD08691766 |
| Molecular Formula | C13H12O2 |
| Molecular Weight | 200.2332 |
| SMILES | C(COC1C=CC(=CC=1CC=C)C=O)#C |
| Synonyms | 915922-32-6,
3-ALLYL-4-(2-PROPYN-1-YLOXY)BENZALDEHYDE,
3-Allyl-4-(prop-2-yn-1-yloxy)benzaldehyde,
CTK5H0028,
DTXSID40651075,
CHEMBRDG-BB 6489995,
ZX-CM016721,
MFCD08691766,
ZINC19093903,
AKOS006222097,
AJ-72262,
Y-4426,
3-(Prop-2-en-1-yl)-4-[(prop-2-yn-1-yl)oxy]benzaldehyde,
3-(PROP-2-EN-1-YL)-4-(PROP-2-YN-1-YLOXY)BENZALDEHYDE,
CHEMBRDG-BB6489995,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.237g/mol |
| Monoisotopic Mass | 200.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number