| CAS Number | 1260178-71-9 |
| Catalog Number | AG000QR4(AGN-PC-0WAMCD) |
| Chemical Name | 8-methoxypyrido[3,4-d]pyrimidin-4(3H)-one |
| IUPAC Name | 8-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one |
| InChI | InChI=1S/C8H7N3O2/c1-13-8-6-5(2-3-9-8)7(12)11-4-10-6/h2-4H,1H3,(H,10,11,12) |
| InChI Key | UAVYDZAGFTYRPF-UHFFFAOYSA-N |
| MDL Number | MFCD21648261 |
| Molecular Formula | C8H7N3O2 |
| Molecular Weight | 177.1601 |
| SMILES | COC1=NC=CC2=C1N=CNC2=O |
| Synonyms | 8-methoxypyrido[3,4-d]pyrimidin-4(3H)-one,
1260178-71-9,
AK174142,
SCHEMBL17163985,
MFCD21648261,
RW3332,
ZINC77011594,
AKOS025396381,
AKOS032961102,
DS-8606,
FCH1566485,
QC-1912,
8-methoxy-3H-pyrido[3,4-d]pyrimidin-4-one,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.163g/mol |
| Monoisotopic Mass | 177.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number