Methyl 4,5-Dimethylpyrrole-2-carboxylate - CAS 33317-03-2

Catalog:	BB021660
Product Name:	Methyl 4,5-Dimethylpyrrole-2-carboxylate
CAS:	33317-03-2
Synonyms:	4,5-dimethyl-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4,5-dimethyl-1H-pyrrole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4,5-dimethyl-1H-pyrrole-2-carboxylate
Description:	Methyl 4,5-Dimethylpyrrole-2-carboxylate (CAS# 33317-03-2 ) is a useful research chemical.
Molecular Weight:	153.18
Molecular Formula:	C8H11NO2
Canonical SMILES:	CC1=C(NC(=C1)C(=O)OC)C
InChI:	InChI=1S/C8H11NO2/c1-5-4-7(8(10)11-3)9-6(5)2/h4,9H,1-3H3
InChI Key:	RPHZVQXBFWIPKE-UHFFFAOYSA-N
MDL:	MFCD18072587
LogP:	1.41810

Publication Number	Title	Priority Date
WO-2015038426-A1	Self-immolative linkers containing mandelic acid derivatives, drug-ligand conjugates for targeted therapies and uses thereof	20130913
CA-2399380-A1	Pyrrolopyridazine compound	20000210
CZ-20022742-A3	Pyrrolpyridazine derivatives	20000210
DE-60128329-T2	Pyrrolopyridazine CONNECTIONS	20000210
EP-1254907-A1	Pyrrolopyridazine compound	20000210

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.078978594
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	153.078978594
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7