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116206-42-9 | 1H-2-Benzopyran-1-one, 3-(acetyloxy)-3,4-dihydro-
CAS No: 116206-42-9 Catalog No: AG000BW5 MDL No:
Product Description
Catalog Number:
AG000BW5
Chemical Name:
1H-2-Benzopyran-1-one, 3-(acetyloxy)-3,4-dihydro-
CAS Number:
116206-42-9
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
(1-oxo-3,4-dihydroisochromen-3-yl) acetate
InChI:
InChI=1S/C11H10O4/c1-7(12)14-10-6-8-4-2-3-5-9(8)11(13)15-10/h2-5,10H,6H2,1H3
InChI Key:
OXSZDUGIQNXURX-UHFFFAOYSA-N
SMILES:
CC(=O)OC1OC(=O)c2c(C1)cccc2
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.197g/mol
Monoisotopic Mass:
206.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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