Methyl 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate - CAS 202195-67-3
Catalog: |
BB015718 |
Product Name: |
Methyl 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate |
CAS: |
202195-67-3 |
Synonyms: |
3-oxo-4H-1,4-benzoxazine-6-carboxylic acid methyl ester; methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate |
IUPAC Name: | methyl 3-oxo-4H-1,4-benzoxazine-6-carboxylate |
Description: | Methyl 3-Oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (CAS# 202195-67-3) is a useful research chemical. |
Molecular Weight: | 207.18 |
Molecular Formula: | C10H9NO4 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)OCC(=O)N2 |
InChI: | InChI=1S/C10H9NO4/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12) |
InChI Key: | WPGYGHFVLMZWHI-UHFFFAOYSA-N |
Boiling Point: | 412.1 ℃ at 760 mmHg |
Density: | 1.313 g/cm3 |
MDL: | MFCD03036646 |
LogP: | 0.94210 |
Publication Number | Title | Priority Date |
CN-113121463-A | Amide compound with bicyclic structure and application thereof in medicines | 20191231 |
WO-2021136339-A1 | Amide compound with bicyclic structure and use thereof in drug | 20191231 |
TW-201711999-A | [6,6] fused bicyclic histone deacetylase 8 (HDAC8) inhibitor | 20150903 |
US-10029995-B2 | [6,6] fused bicyclic HDAC8 inhibitors | 20150903 |
US-10370343-B2 | [6,6] Fused bicyclic HDAC8 inhibitors | 20150903 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 64.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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