| CAS Number | 118791-48-3 |
| Catalog Number | AG01A802(AGN-PC-0LJAZ8) |
| Chemical Name | 4-Methoxy-3-(pentyloxy)benzaldehyde |
| IUPAC Name | 4-methoxy-3-pentoxybenzaldehyde |
| InChI | InChI=1S/C13H18O3/c1-3-4-5-8-16-13-9-11(10-14)6-7-12(13)15-2/h6-7,9-10H,3-5,8H2,1-2H3 |
| InChI Key | RBKOEPNLFQXHJD-UHFFFAOYSA-N |
| MDL Number | MFCD06742799 |
| Molecular Formula | C13H18O3 |
| Molecular Weight | 222.2802 |
| SMILES | CCCCCOC1=C(OC)C=CC(C=O)=C1 |
| Synonyms | 4-methoxy-3-(pentyloxy)benzaldehyde,
118791-48-3,
AC1NKHF3,
AC1Q2WN6,
SCHEMBL5111350,
4-methoxy-3-pentoxybenzaldehyde,
CTK7A7433,
ZINC11956913,
AKOS000202156,
NE23825,
EN300-60316,
4-methoxy-3-(pentyloxy)benzaldehyde, AldrichCPR,
4-methoxy-3-pentoxy-benzaldehyde,
CID4913397,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.284g/mol |
| Monoisotopic Mass | 222.126g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number