| CAS Number | 853643-70-6 |
| Catalog Number | AG00IDN0(AGN-PC-01KWJV) |
| Chemical Name | 2-(3-Methoxypropoxy)benzaldehyde |
| IUPAC Name | 2-(3-methoxypropoxy)benzaldehyde |
| InChI | InChI=1S/C11H14O3/c1-13-7-4-8-14-11-6-3-2-5-10(11)9-12/h2-3,5-6,9H,4,7-8H2,1H3 |
| InChI Key | PNJHBPLCUDFAQV-UHFFFAOYSA-N |
| MDL Number | MFCD12762367 |
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.2271 |
| SMILES | COCCCOc1ccccc1C=O |
| Synonyms | 2-(3-Methoxypropoxy)benzaldehyde,
853643-70-6,
SCHEMBL2810260,
PNJHBPLCUDFAQV-UHFFFAOYSA-N,
ZINC8731418,
2-(3-Methoxy-propoxy)-benzaldehyde,
Benzaldehyde, 2-(3-methoxypropoxy)-,
AKOS000102235,
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| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.23g/mol |
| Monoisotopic Mass | 194.094g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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