| CAS Number | 135106-52-4 |
| Catalog Number | AG009ITD(AGN-PC-00J1X5) |
| Chemical Name | 5-METHOXYQUINAZOLIN-4-OL |
| IUPAC Name | 5-methoxy-3H-quinazolin-4-one |
| InChI | InChI=1S/C9H8N2O2/c1-13-7-4-2-3-6-8(7)9(12)11-5-10-6/h2-5H,1H3,(H,10,11,12) |
| InChI Key | SJIQXQRHUFZWTH-UHFFFAOYSA-N |
| MDL Number | MFCD09264044 |
| Molecular Formula | C9H8N2O2 |
| Molecular Weight | 176.1720 |
| SMILES | O=C1C2C(=CC=CC=2N=CN1)OC |
| Synonyms | 5-METHOXYQUINAZOLIN-4-OL,
5-methoxyquinazolin-4(3H)-one,
135106-52-4,
SCHEMBL3051495,
SCHEMBL8813028,
SJIQXQRHUFZWTH-UHFFFAOYSA-N,
4(1H)-Quinazolinone, 5-methoxy-,
ZINC95627745,
AKOS006330695,
AB50485,
5-methoxy-3,4-dihydroquinazolin-4-one,
Z2471262567,
5-methoxy-1H-quinazolin-4-one,
CID11974334,
N/A,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.175g/mol |
| Monoisotopic Mass | 176.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 50.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number