| CAS Number | 867329-95-1 |
| Catalog Number | AG019OLC |
| Chemical Name | [5-Acetyl-3-(methoxycarbonyl)-4-methyl-1h-pyrrol-2-yl]acetic acid |
| IUPAC Name | 2-(5-acetyl-3-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)acetic acid |
| InChI | InChI=1S/C11H13NO5/c1-5-9(11(16)17-3)7(4-8(14)15)12-10(5)6(2)13/h12H,4H2,1-3H3,(H,14,15) |
| InChI Key | RTSUJTLZRWKLSV-UHFFFAOYSA-N |
| MDL Number | MFCD07339535 |
| Molecular Formula | C11H13NO5 |
| Molecular Weight | 239.2246 |
| SMILES | COC(C1=C(CC(O)=O)NC(C(C)=O)=C1C)=O |
| Synonyms | 2-[5-acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]acetic acid,
867329-95-1,
[5-acetyl-3-(methoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]acetic acid,
AC1OFJTX,
AC1Q42EZ,
CTK8F2565,
ZINC4218268,
2-(5-acetyl-3-methoxycarbonyl-4-methyl-1H-pyrrol-2-yl)acetic Acid,
AKOS034788984,
MCULE-6300139571,
NE29543,
EN300-14383,
Z99601214,
CID7130735,
|
| Complexity | 341 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.227g/mol |
| Monoisotopic Mass | 239.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number