| CAS Number | 886986-87-4 |
| Catalog Number | AG01A9FV(AGN-PC-0VNA1P) |
| Chemical Name | ethyl 3-(3,4-dihydro-1H-2-benzopyran-1-yl)-2-oxopropanoate |
| IUPAC Name | ethyl 3-(3,4-dihydro-1H-isochromen-1-yl)-2-oxopropanoate |
| InChI | InChI=1S/C14H16O4/c1-2-17-14(16)12(15)9-13-11-6-4-3-5-10(11)7-8-18-13/h3-6,13H,2,7-9H2,1H3 |
| InChI Key | STIICXZMUZFNQB-UHFFFAOYSA-N |
| MDL Number | MFCD16817407 |
| Molecular Formula | C14H16O4 |
| Molecular Weight | 248.2744 |
| SMILES | CCOC(C(CC1C2=C(C=CC=C2)CCO1)=O)=O |
| Synonyms | ethyl 3-(3,4-dihydro-1H-2-benzopyran-1-yl)-2-oxopropanoate,
886986-87-4,
AC1Q31Y1,
AKOS033199658,
MCULE-8440202891,
NE40081,
EN300-64986,
Z1258955435,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.278g/mol |
| Monoisotopic Mass | 248.105g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number