| CAS Number | 68384-83-8 |
| Catalog Number | AG00FH09(AGN-PC-0JMWQZ) |
| Chemical Name | (1-Methyl-1H-pyrrol-3-yl)methanol |
| IUPAC Name | (1-methylpyrrol-3-yl)methanol |
| InChI | InChI=1S/C6H9NO/c1-7-3-2-6(4-7)5-8/h2-4,8H,5H2,1H3 |
| InChI Key | GAWOWMPYDQEGOT-UHFFFAOYSA-N |
| MDL Number | MFCD01688414 |
| Molecular Formula | C6H9NO |
| Molecular Weight | 111.1418 |
| SMILES | OCc1ccn(c1)C |
| Synonyms | 68384-83-8,
(1-METHYL-1H-PYRROL-3-YL)METHANOL,
1H-Pyrrole-3-methanol, 1-methyl-,
3-Hydroxymethyl-1-methylpyrrole,
1-Methylpyrrole-3-methanol,
BRN 1446348,
5-21-01-00378 (Beilstein Handbook Reference),
(1-methylpyrrol-3-yl)methanol,
AC1L3Z45,
SCHEMBL6628483,
DTXSID70218514,
ZINC6072411,
AKOS006280141,
AB09760,
AJ-55662,
LS-136984,
Z2238932910,
C6-H9-N-O,
CID149434,
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| Complexity | 74.9 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.144g/mol |
| Monoisotopic Mass | 111.068g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 25.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number