| CAS Number | 72914-12-6 |
| Catalog Number | AG01BFNK(AGN-PC-0WORWN) |
| Chemical Name | 6-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID |
| IUPAC Name | 6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid |
| InChI | InChI=1S/C11H12O3/c1-7-2-4-9-8(6-7)3-5-10(14-9)11(12)13/h2,4,6,10H,3,5H2,1H3,(H,12,13) |
| InChI Key | PXDGCYQSRSOBOE-UHFFFAOYSA-N |
| MDL Number | MFCD10696181 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | CC1=CC2=C(OC(C(O)=O)CC2)C=C1 |
| Synonyms | 72914-12-6,
6-METHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID,
6-METHYLCHROMAN-2-CARBOXYLIC ACID,
SCHEMBL433940,
PXDGCYQSRSOBOE-UHFFFAOYSA-N,
2H-1-BENZOPYRAN-2-CARBOXYLIC ACID, 3,4-DIHYDRO-6-METHYL-,
AKOS006304100,
AB56687,
Z1948934848,
3,4-DIHYDRO-6-METHYL-2H-1-BENZOPYRAN-2-CARBOXYLIC ACID,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number