| CAS Number | 76322-78-6 |
| Catalog Number | AG00ICQ9(AGN-PC-0NJORT) |
| Chemical Name | 1-(Methoxymethyl)pyrrole |
| IUPAC Name | 1-(methoxymethyl)pyrrole |
| InChI | InChI=1S/C6H9NO/c1-8-6-7-4-2-3-5-7/h2-5H,6H2,1H3 |
| InChI Key | RVJUXEZIBUCRHP-UHFFFAOYSA-N |
| MDL Number | MFCD12923696 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | COCN1C=CC=C1 |
| Synonyms | 1-(Methoxymethyl)-1H-pyrrole,
76322-78-6,
N-methoxymethyl-pyrrole,
1-(Methoxymethyl)pyrrole,
SCHEMBL4473832,
1H-Pyrrole, 1-(methoxymethyl)-,
ZINC39256839,
AKOS014313945,
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| Complexity | 59.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 14.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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