2,3-Dihydroisoquinoline-1,4-dione - CAS 31053-30-2

Catalog:	BB020787
Product Name:	2,3-Dihydroisoquinoline-1,4-dione
CAS:	31053-30-2
Synonyms:	2,3-dihydroisoquinoline-1,4-dione; 2,3-dihydroisoquinoline-1,4-dione

Technical Data

Patents

Computed Properties

IUPAC Name:	2,3-dihydroisoquinoline-1,4-dione
Description:	2,3-Dihydroisoquinoline-1,4-dione (CAS# 31053-30-2 ) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	C1C(=O)C2=CC=CC=C2C(=O)N1
InChI:	InChI=1S/C9H7NO2/c11-8-5-10-9(12)7-4-2-1-3-6(7)8/h1-4H,5H2,(H,10,12)
InChI Key:	WRRHHSIPJQOVJM-UHFFFAOYSA-N
LogP:	0.62310

Publication Number	Title	Priority Date
US-9664696-B1	Compounds for determining the presence of hydrogen sulfide and methods of use	20130530
US-2012183948-A1	Compounds and methods for detection of enzymes that remove formyl, succinyl, methyl succinyl or myristoyl groups from epsilon-amino lysine moieties	20110113
US-2017198333-A1	Compounds and methods for detection of enzymes that remove formyl, succinyl, methyl succinyl or myristoyl groups from epsilon-amino lysine moieties	20110113
US-2018223328-A1	Compounds and methods for detection of enzymes that remove formyl, succinyl, methyl succinyl or myristoyl groups from epsilon-amino lysine moieties	20110113
US-9637773-B2	Compounds and methods for detection of enzymes that remove formyl, succinyl, methyl succinyl or myristoyl groups from Îµ-amino lysine moieties	20110113

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Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8