| CAS Number | 803637-78-7 |
| Catalog Number | AG00GA7A(AGN-PC-0WBOEV) |
| Chemical Name | 2-(4-Methoxyphenyl)-2-morpholinoacetic acid |
| IUPAC Name | 2-(4-methoxyphenyl)-2-morpholin-4-ylacetic acid |
| InChI | InChI=1S/C13H17NO4/c1-17-11-4-2-10(3-5-11)12(13(15)16)14-6-8-18-9-7-14/h2-5,12H,6-9H2,1H3,(H,15,16) |
| InChI Key | KVVFCUTZDRVVRA-UHFFFAOYSA-N |
| MDL Number | MFCD09026149 |
| Molecular Formula | C13H17NO4 |
| Molecular Weight | 251.2784 |
| SMILES | COC1=CC=C(C=C1)C(N1CCOCC1)C(O)=O |
| Synonyms | 2-(4-METHOXYPHENYL)-2-MORPHOLINOACETIC ACID,
803637-78-7,
CTK7A2106,
DTXSID10585595,
4826AH,
AR3194,
MFCD09026149,
AKOS009985297,
AS-45546,
(4-Methoxyphenyl)(morpholin-4-yl)acetic acid,
C13H17NO4,
(4-Methoxy-phenyl)-morpholin-4-yl-acetic acid 1HCl salt,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.282g/mol |
| Monoisotopic Mass | 251.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number