Methyl 1,2,3,4-Tetrahydronaphthalene-1-carboxylate - CAS 17502-86-2
Catalog: |
BB013069 |
Product Name: |
Methyl 1,2,3,4-Tetrahydronaphthalene-1-carboxylate |
CAS: |
17502-86-2 |
Synonyms: |
1,2,3,4-tetrahydronaphthalene-1-carboxylic acid methyl ester; methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate |
IUPAC Name: | methyl 1,2,3,4-tetrahydronaphthalene-1-carboxylate |
Description: | Methyl 1,2,3,4-Tetrahydronaphthalene-1-carboxylate (CAS# 17502-86-2) is a useful research chemical. |
Molecular Weight: | 190.24 |
Molecular Formula: | C12H14O2 |
Canonical SMILES: | COC(=O)C1CCCC2=CC=CC=C12 |
InChI: | InChI=1S/C12H14O2/c1-14-12(13)11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5,7,11H,4,6,8H2,1H3 |
InChI Key: | GBNNKNLJHYPKIG-UHFFFAOYSA-N |
LogP: | 2.27950 |
Publication Number | Title | Priority Date |
TW-202010500-A | Pyrazolotriazolopyrimidine derivatives as A2A receptor | 20180408 |
WO-2019196803-A1 | Pyrazolotriazolopyrimidine derivatives as a2a receptor antagonist | 20180408 |
AU-2019251148-A1 | Pyrazolotriazolopyrimidine derivatives as A2A receptor antagonist | 20180408 |
BR-112020020078-A2 | FORMULA COMPOUND, PHARMACEUTICAL COMPOSITION, CANCER TREATMENT METHOD AND FORMULA 5 AND 13 COMPOUNDS | 20180408 |
CN-112313234-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 20180408 |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.099379685 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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