Methyl 4-Oxo-4H-chromene-2-carboxylate - CAS 18398-73-7

Name: Methyl 4-Oxo-4H-chromene-2-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014112
Product Name:	Methyl 4-Oxo-4H-chromene-2-carboxylate
CAS:	18398-73-7
Synonyms:	4-oxo-1-benzopyran-2-carboxylic acid methyl ester; methyl 4-oxochromene-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-oxochromene-2-carboxylate
Description:	Methyl 4-Oxo-4H-chromene-2-carboxylate (CAS# 18398-73-7) is a useful research chemical.
Molecular Weight:	204.18
Molecular Formula:	C11H8O4
Canonical SMILES:	COC(=O)C1=CC(=O)C2=CC=CC=C2O1
InChI:	InChI=1S/C11H8O4/c1-14-11(13)10-6-8(12)7-4-2-3-5-9(7)15-10/h2-6H,1H3
InChI Key:	WNVKMIHNAHIVDP-UHFFFAOYSA-N
Boiling Point:	311.3 °C at 760 mmHg
Density:	1.337 g/cm³
LogP:	1.57960

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Related Functional Groups

Benzopyrans

[1353576-61-0]C26H39NO3
N-(4-Methyl-2-oxo-2H-chromen-7-yl)palmitamide
[50683-74-4]C11H15NO
Isochroman-1-ylmethyl-methyl-amine
[75704-71-1]C10H9NO3
3-Amino-6-methoxy-2H-chromen-2-one
[182949-89-9]C9H9BrO
5-Bromoisochroman
[207804-97-5]C9H9NO3
6-Nitroisochromane
[1016804-06-0]C9H10BrNO
7-Bromochroman-4-amine

Publication Number	Title	Priority Date
WO-2021144814-A1	Methods, processes and intermediates for preparing chroman compounds	20200117
CA-2680789-A1	Heterocyclic compounds and uses thereof in the treatment of sexual disorders	20060328
CA-2680789-C	Heterocyclic compounds and uses thereof in the treatment of sexual disorders	20060328
CA-2914168-A1	Pyrido[1,2-a]pyrimidin-4-one derivatives and their use in the treatment of sexual disorders	20060328
CA-2914168-C	Pyrido[1,2-a]pyrimidin-4-one derivatives and their use in the treatment of sexual disorders	20060328

Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.04225873
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2