| CAS Number | 877041-35-5 |
| Catalog Number | AG01DWRO |
| Chemical Name | 3,4-Dimethoxy-5-[(1e)-prop-1-enyl]benzoic acid |
| IUPAC Name | 3,4-dimethoxy-5-prop-1-enylbenzoic acid |
| InChI | InChI=1S/C12H14O4/c1-4-5-8-6-9(12(13)14)7-10(15-2)11(8)16-3/h4-7H,1-3H3,(H,13,14) |
| InChI Key | QJMYJBBBKJWVDQ-UHFFFAOYSA-N |
| MDL Number | MFCD07843126 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | COC1=C(OC)C(C=CC)=CC(C(O)=O)=C1 |
| Synonyms | 877041-35-5,
3,4-dimethoxy-5-(prop-1-en-1-yl)benzoic acid,
CTK5J1197,
AKOS030639167,
MCULE-5543098566,
Z166652118,
3,4-dimethoxy-5-[(1E)-prop-1-enyl]benzoic acid,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.24g/mol |
| Monoisotopic Mass | 222.089g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number