| CAS Number | 1354953-33-5 |
| Catalog Number | AG019S1U(AGN-PC-0WO3BQ) |
| Chemical Name | 2-Methyl-4H-chromene-3-carboxylic acid |
| IUPAC Name | 2-methyl-4H-chromene-3-carboxylic acid |
| InChI | InChI=1S/C11H10O3/c1-7-9(11(12)13)6-8-4-2-3-5-10(8)14-7/h2-5H,6H2,1H3,(H,12,13) |
| InChI Key | SZCPPUMVONVANF-UHFFFAOYSA-N |
| MDL Number | MFCD20501947 |
| Molecular Formula | C11H10O3 |
| Molecular Weight | 190.1953 |
| SMILES | CC=1OC2=CC=CC=C2CC1C(=O)O |
| Synonyms | 2-methyl-4H-chromene-3-carboxylic acid,
1354953-33-5,
ZINC71790305,
AKOS026727170,
MCULE-3230152524,
NE34149,
EN300-91445,
Z1267773716,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.198g/mol |
| Monoisotopic Mass | 190.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number