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

Technical Data

Patents

Computed Properties

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

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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