| CAS Number | 915924-09-3 |
| Catalog Number | AG00IGS2(AGN-PC-0WB52Y) |
| Chemical Name | 3-sec-Butoxybenzaldehyde |
| IUPAC Name | 3-butan-2-yloxybenzaldehyde |
| InChI | InChI=1S/C11H14O2/c1-3-9(2)13-11-6-4-5-10(7-11)8-12/h4-9H,3H2,1-2H3 |
| InChI Key | VDZAJWUUHHMPCY-UHFFFAOYSA-N |
| MDL Number | MFCD08691916 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | C1(C=CC=C(C=1)C=O)OC(C)CC |
| Synonyms | 3-SEC-BUTOXYBENZALDEHYDE,
915924-09-3,
3-(Sec-butoxy)benzaldehyde,
SCHEMBL17828384,
CTK5H0138,
DTXSID90655684,
3-[(Butan-2-yl)oxy]benzaldehyde,
ZX-CM018065,
5390AH,
MFCD08691916,
3-sec-Butoxybenzaldehyde, AldrichCPR,
AKOS005290985,
BBV-183325,
Y-4554,
C11H14O2,
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| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number