| CAS Number | 923120-64-3 |
| Catalog Number | AG01ABD6 |
| Chemical Name | 6-ethoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid |
| IUPAC Name | 6-ethoxy-3,4-dihydro-2H-chromene-3-carboxylic acid |
| InChI | InChI=1S/C12H14O4/c1-2-15-10-3-4-11-8(6-10)5-9(7-16-11)12(13)14/h3-4,6,9H,2,5,7H2,1H3,(H,13,14) |
| InChI Key | FOGSWOAIRPOATM-UHFFFAOYSA-N |
| MDL Number | MFCD08445159 |
| Molecular Formula | C12H14O4 |
| Molecular Weight | 222.2372 |
| SMILES | CCOC1=CC2=C(OCC(C(O)=O)C2)C=C1 |
| Synonyms | 6-ethoxy-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid,
923120-64-3,
6-ETHOXYCHROMANE-3-CARBOXYLIC ACID,
AC1Q383M,
SCHEMBL1519543,
CTK6G2653,
2H-1-Benzopyran-3-carboxylic acid,6-ethoxy-3,4-dihydro-,
6-ethoxychroman-3-carboxylic acid,
AKOS009113511,
MCULE-5150775484,
NE44792,
EN300-71287,
Z228589358,
|
| Complexity | 253 |
| 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 | 3 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number