3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione - CAS 91092-92-1
Catalog: |
BB040042 |
Product Name: |
3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione |
CAS: |
91092-92-1 |
Synonyms: |
methyl 1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate |
IUPAC Name: | methyl 1,4-dioxo-2,3-dihydroisoquinoline-3-carboxylate |
Description: | 3-Carbomethoxy-1,2,3,4-tetrahydroisoquinoline-1,4-dione (CAS# 91092-92-1 ) is a useful research chemical. |
Molecular Weight: | 219.19 |
Molecular Formula: | C11H9NO4 |
Canonical SMILES: | COC(=O)C1C(=O)C2=CC=CC=C2C(=O)N1 |
InChI: | InChI=1S/C11H9NO4/c1-16-11(15)8-9(13)6-4-2-3-5-7(6)10(14)12-8/h2-5,8H,1H3,(H,12,14) |
InChI Key: | FQCQGFASLAKUTO-UHFFFAOYSA-N |
Boiling Point: | 481.2 °C at 760 mmHg |
Density: | 1.345 g/cm3 |
MDL: | MFCD03425940 |
LogP: | 0.48310 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05315777 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05315777 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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