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Methyl 7-(Diethylamino)-2-oxo-2H-chromene-3-carboxylate

Methyl 7-(Diethylamino)-2-oxo-2H-chromene-3-carboxylate - CAS 115948-29-3

Catalog:	BB003651
Product Name:	Methyl 7-(Diethylamino)-2-oxo-2H-chromene-3-carboxylate
CAS:	115948-29-3
Synonyms:	7-(diethylamino)-2-oxo-1-benzopyran-3-carboxylic acid methyl ester; methyl 7-(diethylamino)-2-oxochromene-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 7-(diethylamino)-2-oxochromene-3-carboxylate
Description:	Methyl 7-(Diethylamino)-2-oxo-2H-chromene-3-carboxylate (CAS# 115948-29-3 ) is a useful research chemical.
Molecular Weight:	275.30
Molecular Formula:	C15H17NO4
Canonical SMILES:	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)OC
InChI:	InChI=1S/C15H17NO4/c1-4-16(5-2)11-7-6-10-8-12(14(17)19-3)15(18)20-13(10)9-11/h6-9H,4-5H2,1-3H3
InChI Key:	LXEXJHKRLWTKGZ-UHFFFAOYSA-N
LogP:	2.42580

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	414
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.11575802
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.11575802
Rotatable Bond Count:	5
Topological Polar Surface Area:	55.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8