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101169-75-9 | 2H-1-Benzopyran-2-one, 5,7-bis(acetyloxy)-4-propyl-
CAS No: 101169-75-9 Catalog No: AG0003VF MDL No:
Product Description
Catalog Number:
AG0003VF
Chemical Name:
2H-1-Benzopyran-2-one, 5,7-bis(acetyloxy)-4-propyl-
CAS Number:
101169-75-9
Molecular Formula:
C16H16O6
Molecular Weight:
304.2946
IUPAC Name:
(5-acetyloxy-2-oxo-4-propylchromen-7-yl) acetate
InChI:
InChI=1S/C16H16O6/c1-4-5-11-6-15(19)22-14-8-12(20-9(2)17)7-13(16(11)14)21-10(3)18/h6-8H,4-5H2,1-3H3
InChI Key:
FNUPQTUDITZOJM-UHFFFAOYSA-N
SMILES:
CCCc1cc(=O)oc2c1c(OC(=O)C)cc(c2)OC(=O)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.095g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.298g/mol
Monoisotopic Mass:
304.095g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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