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Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate

Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate - CAS 126522-01-8

Catalog:	BB006595
Product Name:	Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate
CAS:	126522-01-8
Synonyms:	methyl 4H-thieno[3,2-c]chromene-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4H-thieno[3,2-c]chromene-2-carboxylate
Description:	Methyl 4H-[1]-benzopyrano[4,3-b]thiophene-2-carboxylate (CAS# 126522-01-8 ) is a useful research chemical.
Molecular Weight:	246.28
Molecular Formula:	C13H10O3S
Canonical SMILES:	COC(=O)C1=CC2=C(S1)C3=CC=CC=C3OC2
InChI:	InChI=1S/C13H10O3S/c1-15-13(14)11-6-8-7-16-10-5-3-2-4-9(10)12(8)17-11/h2-6H,7H2,1H3
InChI Key:	SSWWLCIIZQNEAE-UHFFFAOYSA-N
Boiling Point:	435.6 °C at 760 mmHg
Purity:	95 %
Density:	1.334 g/cm³
MDL:	MFCD08191336
LogP:	3.09410

Publication Number	Title	Priority Date
EP-2714675-B1	4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use	20110527
AU-2009231885-A1	Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use	20080331
AU-2009231885-B2	Benzopyran and benzoxepin PI3K inhibitor compounds and methods of use	20080331
CA-2719032-A1	Benzopyran and benzoxepin pi3k inhibitor compounds and methods of use	20080331
CA-2719032-C	Benzopyran and benzoxepin pi3k inhibitor compounds and methods of use	20080331

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Related Functional Groups

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[438220-53-2]
Ethyl 2-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-3-carboxylate
[306934-99-6]
Ethyl 2-amino-4-(4-bromophenyl)thiophene-3-carboxylate
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Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.03506535
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	246.03506535
Rotatable Bond Count:	2
Topological Polar Surface Area:	63.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3