| CAS Number | 4270-38-6 |
| Catalog Number | AG00C62M(AGN-PC-0WB3SO) |
| Chemical Name | 3-((4-Ethoxyphenyl)amino)-3-oxopropanoic acid |
| IUPAC Name | 3-(4-ethoxyanilino)-3-oxopropanoic acid |
| InChI | InChI=1S/C11H13NO4/c1-2-16-9-5-3-8(4-6-9)12-10(13)7-11(14)15/h3-6H,2,7H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | CLYZAEDHBXTZBW-UHFFFAOYSA-N |
| MDL Number | MFCD08685834 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | C(=O)(NC1C=CC(=CC=1)OCC)CC(O)=O |
| Synonyms | 4270-38-6,
3-[(4-ethoxyphenyl)amino]-3-oxopropanoic acid,
CHEMBRDG-BB 4024717,
3-((4-Ethoxyphenyl)amino)-3-oxopropanoic acid,
CTK4I6533,
DTXSID10586148,
ZINC9304553,
ZX-CM005470,
MFCD08685834,
STK256846,
AKOS003665119,
ACM4270386,
MCULE-2969112848,
3-(4-ethoxyanilino)-3-oxopropanoic acid,
AJ-59520,
Y-4067,
CHEMBRDG-BB4024717,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number