| CAS Number | 7042-04-8 |
| Catalog Number | AG019THK(AGN-PC-0L6ZD9) |
| Chemical Name | Methyl 5-(methoxymethyl)furan-2-carboxylate |
| IUPAC Name | methyl 5-(methoxymethyl)furan-2-carboxylate |
| InChI | InChI=1S/C8H10O4/c1-10-5-6-3-4-7(12-6)8(9)11-2/h3-4H,5H2,1-2H3 |
| InChI Key | GXYHQVZORYVUOP-UHFFFAOYSA-N |
| MDL Number | MFCD06803183 |
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.1626 |
| SMILES | COCC1OC(C(OC)=O)=CC=1 |
| Synonyms | Methyl 5-(methoxymethyl)furan-2-carboxylate,
7042-04-8,
5-methoxymethyl-furan-2-carboxylic acid methyl ester,
AC1N5ERM,
SCHEMBL6441147,
methyl 5-methoxymethyl-2-furoate,
GXYHQVZORYVUOP-UHFFFAOYSA-N,
ZINC6229069,
BBL030684,
STL372977,
AKOS004115466,
MCULE-2888952358,
NE34893,
Sumiki's acid methyl ether methyl ester,
methyl 5-methoxymethyl-2-furancarboxylate,
BB 0241612,
5-Methoxymethyl-furan-2-carboxylic acid methyl ester,
Z210354706,
C8H10O4,
CID4193918,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.164g/mol |
| Monoisotopic Mass | 170.058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 48.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number