| CAS Number | 121925-06-2 |
| Catalog Number | AG019ZTN |
| Chemical Name | 3-Methoxy-4-(methoxymethyl)benzoic acid |
| IUPAC Name | 3-methoxy-4-(methoxymethyl)benzoic acid |
| InChI | InChI=1S/C10H12O4/c1-13-6-8-4-3-7(10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) |
| InChI Key | RJPSCKDGMMHUIK-UHFFFAOYSA-N |
| MDL Number | MFCD20658357 |
| Molecular Formula | C10H12O4 |
| Molecular Weight | 196.1999 |
| SMILES | COC=1C=C(C(=O)O)C=CC1COC |
| Synonyms | 3-methoxy-4-(methoxymethyl)benzoic acid,
121925-06-2,
SCHEMBL9516446,
ZINC34318371,
AKOS033323375,
MCULE-8516205664,
NE53227,
RP25431,
Z1416203165,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.202g/mol |
| Monoisotopic Mass | 196.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number