| CAS Number | 1378372-01-0 |
| Catalog Number | AG01FU0R(AGN-PC-3H60EH) |
| Chemical Name | 6-(hydroxymethyl)-2-methylquinazolin-4(1H)-one |
| IUPAC Name | 6-(hydroxymethyl)-2-methyl-3H-quinazolin-4-one |
| InChI | InChI=1S/C10H10N2O2/c1-6-11-9-3-2-7(5-13)4-8(9)10(14)12-6/h2-4,13H,5H2,1H3,(H,11,12,14) |
| InChI Key | GWRWOZRMUDBBTP-UHFFFAOYSA-N |
| MDL Number | MFCD30472159 |
| Molecular Formula | C10H10N2O2 |
| Molecular Weight | 190.1986 |
| SMILES | OCc1ccc2c(c1)c(O)nc(n2)C |
| Synonyms | 6-(hydroxymethyl)-2-methylquinazolin-4(1H)-one,
1378372-01-0,
6-(hydroxymethyl)-2-methylquinazolin-4(3H)-one,
ZINC231410297,
AS-55063,
6-(Hydroxymethyl)-2-methylquinazolin-4-ol,
CS-0080103,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.074228g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.2g/mol |
| Monoisotopic Mass | 190.074228g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 61.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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