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Home Other Building Blocks Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester

CAS No.:
17695-46-4
Catalog Number:
AG00250F
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
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Product Description
Catalog Number:
AG00250F
Chemical Name:
Butanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number:
17695-46-4
Molecular Formula:
C14H14O4
Molecular Weight:
246.2586
MDL Number:
MFCD00038087
IUPAC Name:
(4-methyl-2-oxochromen-7-yl) butanoate
InChI:
InChI=1S/C14H14O4/c1-3-4-13(15)17-10-5-6-11-9(2)7-14(16)18-12(11)8-10/h5-8H,3-4H2,1-2H3
InChI Key:
WKPUJZVCZXWKCK-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C
EC Number:
241-694-7
UNII:
THY0NZ2Z72
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.089g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.262g/mol
Monoisotopic Mass:
246.089g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Functional proteomic analysis of rice bran esterases/lipases and characterization of a novel recombinant esterase. Journal of agricultural and food chemistry 20110309
Purification and properties of digestive lipases from Chinook salmon (Oncorhynchus tshawytscha) and New Zealand hoki (Macruronus novaezelandiae). Fish physiology and biochemistry 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Carboxylic ester hydrolases from hyperthermophiles. Extremophiles : life under extreme conditions 20090701
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Determination of lipase activity using image analysis. Analytical biochemistry 20060415
Identification of a carboxylesterase-producing Rhodococcus soil isolate. Canadian journal of microbiology 20050901
Properties