| CAS Number | 871673-25-5 |
| Catalog Number | AG019OS6 |
| Chemical Name | 4-(Carbamoylmethoxy)-3,5-dimethoxybenzoic acid |
| IUPAC Name | 4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoic acid |
| InChI | InChI=1S/C11H13NO6/c1-16-7-3-6(11(14)15)4-8(17-2)10(7)18-5-9(12)13/h3-4H,5H2,1-2H3,(H2,12,13)(H,14,15) |
| InChI Key | KRKRRTKSQZEMLZ-UHFFFAOYSA-N |
| MDL Number | MFCD07355836 |
| Molecular Formula | C11H13NO6 |
| Molecular Weight | 255.2240 |
| SMILES | COC1=C(OCC(N)=O)C(OC)=CC(C(O)=O)=C1 |
| Synonyms | 4-(carbamoylmethoxy)-3,5-dimethoxybenzoic acid,
4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoic acid,
871673-25-5,
EN300-15054,
AC1OFL7C,
AC1Q47QF,
CTK6J6540,
HMS1758J15,
ZINC4218735,
AKOS009039172,
MCULE-6887661495,
NE17439,
SEL10405718,
Z118257774,
CID7131328,
4-(carbamoylmethoxy)-3,5-dimethoxy-benzoic Acid,
|
| Complexity | 294 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.226g/mol |
| Monoisotopic Mass | 255.074g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number