| CAS Number | 1407521-98-5 |
| Catalog Number | AG00HVW2(AGN-PC-0WB0SA) |
| Chemical Name | Methyl 7-ethoxy-1-benzofuran-2-carboxylate |
| IUPAC Name | methyl 7-ethoxy-1-benzofuran-2-carboxylate |
| InChI | InChI=1S/C12H12O4/c1-3-15-9-6-4-5-8-7-10(12(13)14-2)16-11(8)9/h4-7H,3H2,1-2H3 |
| InChI Key | NFSLBOPJUNQAHM-UHFFFAOYSA-N |
| MDL Number | MFCD22573539 |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| SMILES | CCOC1=C2C(C=C(C(OC)=O)O2)=CC=C1 |
| Synonyms | methyl 7-ethoxy-1-benzofuran-2-carboxylate,
1407521-98-5,
Methyl 7-ethoxybenzofuran-2-carboxylate,
KS-000027KI,
ZX-RL000614,
4188AD,
MFCD22573539,
ZINC81213614,
AKOS015996894,
LG-0738,
MCULE-3985564186,
OR303106,
C12H12O4,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.224g/mol |
| Monoisotopic Mass | 220.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number