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114214-80-1 | Hexanoic acid, 2-oxo-2H-1-benzopyran-7-yl ester
CAS No: 114214-80-1 Catalog No: AG000AU8 MDL No:
Product Description
Catalog Number:
AG000AU8
Chemical Name:
Hexanoic acid, 2-oxo-2H-1-benzopyran-7-yl ester
CAS Number:
114214-80-1
Molecular Formula:
C15H16O4
Molecular Weight:
260.2851
IUPAC Name:
(2-oxochromen-7-yl) hexanoate
InChI:
InChI=1S/C15H16O4/c1-2-3-4-5-14(16)18-12-8-6-11-7-9-15(17)19-13(11)10-12/h6-10H,2-5H2,1H3
InChI Key:
JFTVVEHJJRKCJI-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.105g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.289g/mol
Monoisotopic Mass:
260.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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