| CAS Number | 1005163-13-2 |
| Catalog Number | AG019RVT |
| Chemical Name | 3-[(3-Methylbut-2-en-1-yl)oxy]benzoic acid |
| IUPAC Name | 3-(3-methylbut-2-enoxy)benzoic acid |
| InChI | InChI=1S/C12H14O3/c1-9(2)6-7-15-11-5-3-4-10(8-11)12(13)14/h3-6,8H,7H2,1-2H3,(H,13,14) |
| InChI Key | MPDXZEAUIIFQRB-UHFFFAOYSA-N |
| MDL Number | MFCD11127704 |
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.2378 |
| SMILES | C/C(/C)=C/COC1=CC(C(O)=O)=CC=C1 |
| Synonyms | 3-[(3-methylbut-2-en-1-yl)oxy]benzoic acid,
1005163-13-2,
EN300-90644,
SCHEMBL3316075,
MPDXZEAUIIFQRB-UHFFFAOYSA-N,
ZINC19806698,
AKOS000202930,
BBV-095060,
MCULE-6643526325,
NE24763,
3-(3-Methyl-but-2-enyloxy)-benzoic acid,
Z118460052,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 206.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.241g/mol |
| Monoisotopic Mass | 206.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number