| CAS Number | 873811-55-3 |
| Catalog Number | AG019P67(AGN-PC-0WC16U) |
| Chemical Name | (2E)-3-[4-(2-Amino-2-oxoethoxy)phenyl]acrylic acid |
| IUPAC Name | (E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoic acid |
| InChI | InChI=1S/C11H11NO4/c12-10(13)7-16-9-4-1-8(2-5-9)3-6-11(14)15/h1-6H,7H2,(H2,12,13)(H,14,15)/b6-3+ |
| InChI Key | OTKIEOABDRSFOB-ZZXKWVIFSA-N |
| MDL Number | MFCD02256074 |
| Molecular Formula | C11H11NO4 |
| Molecular Weight | 221.2093 |
| SMILES | NC(COC1=CC=C(C=CC(O)=O)C=C1)=O |
| Synonyms | (2E)-3-[4-(2-amino-2-oxoethoxy)phenyl]acrylic acid,
(2E)-3-[4-(carbamoylmethoxy)phenyl]prop-2-enoic acid,
873811-55-3,
AC1OFM30,
AC1Q4ZQ0,
ALBB-007469,
ZINC4219047,
ZX-AN006991,
MFCD02256074,
STK504553,
AKOS000263829,
TR-059758,
R5742,
EN300-21803,
(2E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoic acid,
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]prop-2-enoic acid,
CID7131717,
(E)-3-[4-(carbamoylmethoxy)phenyl]prop-2-enoic Acid,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 221.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.212g/mol |
| Monoisotopic Mass | 221.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 89.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number