| CAS Number | 38002-91-4 |
| Catalog Number | AG00C8RZ(AGN-PC-00LFSU) |
| Chemical Name | 4-[(2-Methyl-2-propen-1-yl)oxy]benzaldehyde |
| IUPAC Name | 4-(2-methylprop-2-enoxy)benzaldehyde |
| InChI | InChI=1S/C11H12O2/c1-9(2)8-13-11-5-3-10(7-12)4-6-11/h3-7H,1,8H2,2H3 |
| InChI Key | ISGPWHIMOVCRRQ-UHFFFAOYSA-N |
| MDL Number | MFCD00845682 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | C(C)(COC1C=CC(=CC=1)C=O)=C |
| Synonyms | 4-[(2-METHYL-2-PROPEN-1-YL)OXY]BENZALDEHYDE,
38002-91-4,
4-((2-Methylallyl)oxy)benzaldehyde,
4-methallyloxybenzaldehyde,
SCHEMBL5696003,
CTK4H9124,
DTXSID40527342,
ISGPWHIMOVCRRQ-UHFFFAOYSA-N,
4-(2-methylallyloxy)-benzaldehyde,
ALBB-031905,
5528AH,
MFCD00845682,
ZINC19094356,
AKOS000193883,
AJ-72424,
4-[(2-Methylprop-2-en-1-yl)oxy]benzaldehyde,
K-8318,
C11H12O2,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number