| CAS Number | 202409-05-0 |
| Catalog Number | AG01DSTT(AGN-PC-0CS9MZ) |
| Chemical Name | 5-(Methoxycarbonyl)-1H-pyrrole-3-propanoic acid |
| IUPAC Name | 3-(5-methoxycarbonyl-1H-pyrrol-3-yl)propanoic acid |
| InChI | InChI=1S/C9H11NO4/c1-14-9(13)7-4-6(5-10-7)2-3-8(11)12/h4-5,10H,2-3H2,1H3,(H,11,12) |
| InChI Key | NRAXHFZSYRDAOI-UHFFFAOYSA-N |
| MDL Number | MFCD20660036 |
| Molecular Formula | C9H11NO4 |
| Molecular Weight | 197.1879 |
| SMILES | O=C(O)CCC1=CNC(C(OC)=O)=C1 |
| Synonyms | 3-(5-(methoxycarbonyl)-1H-pyrrol-3-yl)propanoic acid,
202409-05-0,
SCHEMBL1004268,
NRAXHFZSYRDAOI-UHFFFAOYSA-N,
AKOS023401210,
|
| Complexity | 229 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.19g/mol |
| Monoisotopic Mass | 197.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number