| CAS Number | 221360-90-3 |
| Catalog Number | AG00I4CU(AGN-PC-0WRAB2) |
| Chemical Name | 2-Methoxy-4-morpholinobenzoic acid |
| IUPAC Name | 2-methoxy-4-morpholin-4-ylbenzoic acid |
| InChI | InChI=1S/C12H15NO4/c1-16-11-8-9(2-3-10(11)12(14)15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15) |
| InChI Key | UIZFHJSHLCHKES-UHFFFAOYSA-N |
| MDL Number | MFCD09910406 |
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.2518 |
| SMILES | COC1=C(C(=O)O)C=CC(=C1)N1CCOCC1 |
| Synonyms | 2-METHOXY-4-MORPHOLINOBENZOIC ACID,
221360-90-3,
SCHEMBL4839678,
CTK6J6677,
UIZFHJSHLCHKES-UHFFFAOYSA-N,
AR3074,
MFCD09910406,
ZINC35287424,
AKOS022819071,
AS-45518,
A-8504,
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| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.255g/mol |
| Monoisotopic Mass | 237.1g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number