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Methyl 1-Methyl-4-oxocyclohexanecarboxylate

Methyl 1-Methyl-4-oxocyclohexanecarboxylate - CAS 37480-41-4

Catalog:	BB023304
Product Name:	Methyl 1-Methyl-4-oxocyclohexanecarboxylate
CAS:	37480-41-4
Synonyms:	1-methyl-4-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 1-methyl-4-oxocyclohexane-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 1-methyl-4-oxocyclohexane-1-carboxylate
Description:	Methyl 1-Methyl-4-oxocyclohexanecarboxylate (CAS# 37480-41-4) is a useful research chemical.
Molecular Weight:	170.21
Molecular Formula:	C9H14O3
Canonical SMILES:	CC1(CCC(=O)CC1)C(=O)OC
InChI:	InChI=1S/C9H14O3/c1-9(8(11)12-2)5-3-7(10)4-6-9/h3-6H2,1-2H3
InChI Key:	DNTGELMQRSNFPO-UHFFFAOYSA-N
LogP:	1.30880

Publication Number	Title	Priority Date
BR-112019012957-A2	tetrahydroimidazo [4,5-c] pyridine derivatives as inducers of internalization of pd-11	20161222
EP-3558990-A1	Tetrahydro imidazo[4,5-c]pyridine derivatives as pd-l1 internalization inducers	20161222
JP-2020504739-A	Tetrahydroimidazo [4,5-C] pyridine derivative as PD-L1 internalization inducer	20161222
KR-20190112265-A	Tetrahydro imidazo [4,5-C] pyridine derivatives as PD-L1 internalization inducers	20161222
US-2018177870-A1	Immunomodulator compounds and methods of use	20161222

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	198
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.094294304
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.094294304
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6