| CAS Number | 172805-62-8 |
| Catalog Number | AG00B2Y0(AGN-PC-0O4VYF) |
| Chemical Name | 1-(Methoxymethyl)pyrrole-2-carboxylic acid |
| IUPAC Name | 1-(methoxymethyl)pyrrole-2-carboxylic acid |
| InChI | InChI=1S/C7H9NO3/c1-11-5-8-4-2-3-6(8)7(9)10/h2-4H,5H2,1H3,(H,9,10) |
| InChI Key | IRPPLMHQADTKLU-UHFFFAOYSA-N |
| MDL Number | MFCD18810222 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | COCn1cccc1C(=O)O |
| Synonyms | 1-(Methoxymethyl)pyrrole-2-carboxylic acid,
172805-62-8,
ZINC39066474,
1H-Pyrrole-2-carboxylicacid,1-(methoxymethyl)-(9CI),
1H-Pyrrole-2-carboxylic acid, 1-(methoxymethyl)- (9CI),
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 51.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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