Dibenzo[b,f]azocin-6(5H)-one - CAS 23112-88-1

Catalog:	BB017927
Product Name:	Dibenzo[b,f]azocin-6(5H)-one
CAS:	23112-88-1
Synonyms:	(11Z)-5H-benzo[c][1]benzazocin-6-one; (11Z)-5H-benzo[c][1]benzazocin-6-one

Technical Data

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Computed Properties

IUPAC Name:	(11Z)-5H-benzo[c][1]benzazocin-6-one
Description:	Dibenzo[b,f]azocin-6(5H)-one (CAS# 23112-88-1 ) is a useful research chemical.
Molecular Weight:	221.25
Molecular Formula:	C15H11NO
Canonical SMILES:	C1=CC=C2C(=C1)C=CC3=CC=CC=C3NC2=O
InChI:	InChI=1S/C15H11NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1-10H,(H,16,17)
InChI Key:	DVAIOEGZPDKFKC-UHFFFAOYSA-N
LogP:	3.56070

Publication Number	Title	Priority Date
WO-2021125279-A1	Chemically crosslinked alginate gel fiber	20191218
WO-2017147542-A2	Optimized transglutaminase site-specific antibody conjugation	20160226
US-2017360952-A1	Biomolecule conjugates	20141204
US-2017326258-A1	Contrast agents based on long-lived nuclear singlet states and related methods	20130829
US-9642924-B2	Contrast agents based on long-lived nuclear singlet states and related methods	20130829

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Complexity:	323
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	221.084063974
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3