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87532-14-7 | 3H-2-Benzopyran-3-one, 4-(acetyloxy)-1,4-dihydro-
CAS No: 87532-14-7 Catalog No: AG004HA7 MDL No:
Product Description
Catalog Number:
AG004HA7
Chemical Name:
3H-2-Benzopyran-3-one, 4-(acetyloxy)-1,4-dihydro-
CAS Number:
87532-14-7
Molecular Formula:
C11H10O4
Molecular Weight:
206.1947
IUPAC Name:
(3-oxo-1,4-dihydroisochromen-4-yl) acetate
InChI:
InChI=1S/C11H10O4/c1-7(12)15-10-9-5-3-2-4-8(9)6-14-11(10)13/h2-5,10H,6H2,1H3
InChI Key:
MSJDFPKFABMAJQ-UHFFFAOYSA-N
SMILES:
CC(=O)OC1C(=O)OCc2c1cccc2
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:
1.3
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