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

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

CAS No.:
18319-92-1
Catalog Number:
AG0027E6
Molecular Formula:
C17H20O4
Molecular Weight:
288.3383
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Product Description
Catalog Number:
AG0027E6
Chemical Name:
Heptanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number:
18319-92-1
Molecular Formula:
C17H20O4
Molecular Weight:
288.3383
MDL Number:
MFCD00037611
IUPAC Name:
(4-methyl-2-oxochromen-7-yl) heptanoate
InChI:
InChI=1S/C17H20O4/c1-3-4-5-6-7-16(18)20-13-8-9-14-12(2)10-17(19)21-15(14)11-13/h8-11H,3-7H2,1-2H3
InChI Key:
FFNBFZWIBOIPIV-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C
EC Number:
242-207-0
Properties
Complexity:
413  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.136g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.343g/mol
Monoisotopic Mass:
288.136g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
β-Catenin signaling increases during melanoma progression and promotes tumor cell survival and chemoresistance. PloS one 20110101
Interplay of IGF-I and 17beta-estradiol at age-specific levels in human sebocytes and fibroblasts in vitro. Experimental gerontology 20081001
Testosterone metabolism to 5alpha-dihydrotestosterone and synthesis of sebaceous lipids is regulated by the peroxisome proliferator-activated receptor ligand linoleic acid in human sebocytes. The British journal of dermatology 20070301
All-trans-retinoic acid and 13-cis-retinoic acid: pharmacokinetics and biological activity in different cell culture models of human keratinocytes. Hormone and metabolic research = Hormon- und Stoffwechselforschung = Hormones et metabolisme 20070201
Mutation of F417 but not of L418 or L420 in the lipid binding domain decreases the activity of triacylglycerol hydrolase. Journal of lipid research 20060201
Properties