| CAS Number | 1781334-49-3 |
| Catalog Number | AG01BR2X |
| Chemical Name | 4-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid |
| IUPAC Name | 4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid |
| InChI | InChI=1S/C10H10O2/c1-6-2-3-7-5-9(10(11)12)8(7)4-6/h2-4,9H,5H2,1H3,(H,11,12) |
| InChI Key | ZJCGNJOZSMGECN-UHFFFAOYSA-N |
| MDL Number | MFCD30502203 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | CC1=CC2=C(CC2C(O)=O)C=C1 |
| Synonyms | 1781334-49-3,
4-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxylic acid,
AKOS034007931,
Z2739025461,
4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number