| CAS Number | 1016677-07-8 |
| Catalog Number | AG019V8M |
| Chemical Name | 3-methoxy-4-{[(propan-2-yl)carbamoyl]methoxy}benzoic acid |
| IUPAC Name | 3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid |
| InChI | InChI=1S/C13H17NO5/c1-8(2)14-12(15)7-19-10-5-4-9(13(16)17)6-11(10)18-3/h4-6,8H,7H2,1-3H3,(H,14,15)(H,16,17) |
| InChI Key | GTJGUINEMONJFO-UHFFFAOYSA-N |
| MDL Number | MFCD09802352 |
| Molecular Formula | C13H17NO5 |
| Molecular Weight | 267.2778 |
| SMILES | COC1=C(OCC(NC(C)C)=O)C=CC(C(O)=O)=C1 |
| Synonyms | 3-methoxy-4-{[(propan-2-yl)carbamoyl]methoxy}benzoic acid,
1016677-07-8,
3-methoxy-4-[(propan-2-ylcarbamoyl)methoxy]benzoic acid,
AC1Q474J,
CTK6J7587,
ZINC13419773,
AKOS000149847,
MCULE-9638237155,
NE24465,
EN300-44081,
Z227744786,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.281g/mol |
| Monoisotopic Mass | 267.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number