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1-methyl-1,4-dihydrocinnolin-4-one

1-methyl-1,4-dihydrocinnolin-4-one - CAS 1556-22-5

Catalog:	BB011137
Product Name:	1-methyl-1,4-dihydrocinnolin-4-one
CAS:	1556-22-5
Synonyms:	1-methyl-4-cinnolinone; 1-methylcinnolin-4-one

Technical Data

Patents

Computed Properties

IUPAC Name:	1-methylcinnolin-4-one
Description:	1-methyl-1,4-dihydrocinnolin-4-one (CAS# 1556-22-5 ) is a useful research chemical.
Molecular Weight:	160.176
Molecular Formula:	C9H8N2O
Canonical SMILES:	CN1C2=CC=CC=C2C(=O)C=N1
InChI:	InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)9(12)6-10-11/h2-6H,1H3
InChI Key:	FCXKVIORKAJMPI-UHFFFAOYSA-N
LogP:	0.93350

Publication Number	Title	Priority Date
CN-107428692-A	Substituted single azepine naphthalene derivatives and polyazanaphthlene derivative and application thereof	20150211
WO-2015086523-A1	Fused bicyclic heteroaromatic derivatives as modulators of tnf activity	20131209
AU-2009210197-A1	Pyrazolopyrimidines, a process for their preparation and their use as medicine	20080201
CA-2711575-A1	Pyrazolopyrimidines, a process for their preparation and their use as medicine	20080201
EP-2085398-A1	Pyrazolopyrimidines, a process for their preparation and their use as medicine	20080201

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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:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	0
Topological Polar Surface Area:	32.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4