| CAS Number | 918827-38-0 |
| Catalog Number | AG006B7Y(AGN-PC-0JEFHX) |
| Chemical Name | Methyl 4-(hydroxymethyl)-1H-pyrrole-2-carboxylate |
| IUPAC Name | methyl 4-(hydroxymethyl)-1H-pyrrole-2-carboxylate |
| InChI | InChI=1S/C7H9NO3/c1-11-7(10)6-2-5(4-9)3-8-6/h2-3,8-9H,4H2,1H3 |
| InChI Key | BMSHUWXWJIMDAK-UHFFFAOYSA-N |
| MDL Number | MFCD12923896 |
| Molecular Formula | C7H9NO3 |
| Molecular Weight | 155.1513 |
| SMILES | O=C(C1=CC(CO)=CN1)OC |
| Synonyms | 918827-38-0,
Methyl 4-(hydroxymethyl)-1H-pyrrole-2-carboxylate,
1H-Pyrrole-2-carboxylic acid, 4-(hydroxymethyl)-, methyl ester,
SCHEMBL16364739,
CTK3H5625,
DTXSID80845052,
ZINC90513210,
4-(Hydroxymethyl)-1H-pyrrole-2-carboxylic acid methyl ester,
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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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.153g/mol |
| Monoisotopic Mass | 155.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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