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20671-66-3 | Octanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS No: 20671-66-3 Catalog No: AG002IMZ MDL No:MFCD00038659
Product Description
Catalog Number:
AG002IMZ
Chemical Name:
Octanoic acid, 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester
CAS Number:
20671-66-3
Molecular Formula:
C18H22O4
Molecular Weight:
302.3649
MDL Number:
MFCD00038659
IUPAC Name:
(4-methyl-2-oxochromen-7-yl) octanoate
InChI:
InChI=1S/C18H22O4/c1-3-4-5-6-7-8-17(19)21-14-9-10-15-13(2)11-18(20)22-16(15)12-14/h9-12H,3-8H2,1-2H3
InChI Key:
WZEWYQWWSCVHCP-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.37g/mol
Monoisotopic Mass:
302.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Kinetics of catalyzed hydrolysis of 4-methylumbelliferyl caprylate (MUCAP) salmonella reagent. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901 |
| [Detection of Salmonella in water by using MUCAP test]. | Wei sheng yan jiu = Journal of hygiene research 20100501 |
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