3-Azatricyclo[4.2.1.02,5]non-7-en-4-one - CAS 14735-70-7
Catalog: |
BB010189 |
Product Name: |
3-Azatricyclo[4.2.1.02,5]non-7-en-4-one |
CAS: |
14735-70-7 |
Synonyms: |
3-azatricyclo[4.2.1.0^{2,5}]non-7-en-4-one; 3-azatricyclo[4.2.1.0^{2,5}]non-7-en-4-one |
IUPAC Name: | 3-azatricyclo[4.2.1.02,5]non-7-en-4-one |
Description: | 3-Azatricyclo[4.2.1.02,5]non-7-en-4-one (CAS# 14735-70-7) is a useful research chemical. |
Molecular Weight: | 135.16 |
Molecular Formula: | C8H9NO |
Canonical SMILES: | C1C2C=CC1C3C2C(=O)N3 |
InChI: | InChI=1S/C8H9NO/c10-8-6-4-1-2-5(3-4)7(6)9-8/h1-2,4-7H,3H2,(H,9,10) |
InChI Key: | WBZQHVKGKQXWMW-UHFFFAOYSA-N |
Boiling Point: | 332.225 °C at 760 mmHg |
Density: | 1.257 g/cm3 |
LogP: | 0.63570 |
Publication Number | Title | Priority Date |
CN-112939836-A | Beta-lactam compound and preparation method thereof | 20210317 |
EP-2968269-B1 | Process for preparing beta 3 agonists and intermediates | 20130315 |
US-10287289-B2 | Process for preparing beta 3 agonists and intermediates | 20130315 |
US-10696681-B2 | Process for preparing beta 3 agonists and intermediates | 20130315 |
US-2017145014-A1 | Process for preparing beta 3 agonists and intermediates | 20130315 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 135.068413911 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 135.068413911 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 4 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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