| CAS Number | 721418-09-3 |
| Catalog Number | AG00FC68 |
| Chemical Name | 2-(4-Methoxy-3-(morpholinosulfonyl)phenyl)acetic acid |
| IUPAC Name | 2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetic acid |
| InChI | InChI=1S/C13H17NO6S/c1-19-11-3-2-10(9-13(15)16)8-12(11)21(17,18)14-4-6-20-7-5-14/h2-3,8H,4-7,9H2,1H3,(H,15,16) |
| InChI Key | RPZLZRBTEXGDMP-UHFFFAOYSA-N |
| MDL Number | MFCD03950764 |
| Molecular Formula | C13H17NO6S |
| Molecular Weight | 315.3422 |
| SMILES | O=C(O)CC1=CC=C(OC)C(S(=O)(N2CCOCC2)=O)=C1 |
| Synonyms | [4-Methoxy-3-(morpholine-4-sulfonyl)-phenyl]-acetic acid,
721418-09-3,
2-[4-methoxy-3-(morpholine-4-sulfonyl)phenyl]acetic acid,
AC1M6DZS,
AC1Q44UN,
2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetic acid,
ZINC3280961,
AKOS000116443,
MCULE-8973820814,
NE12605,
EN300-04495,
J-502764,
2-(4-Methoxy-3-(morpholinosulfonyl)phenyl)acetic acid,
[4-methoxy-3-(morpholine-4-sulfonyl)phenyl]acetic acid,
CID2396424,
2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)acetic Acid,
|
| Complexity | 454 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.34g/mol |
| Monoisotopic Mass | 315.078g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number