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113765-78-9 | 2H-1-Benzopyran-2-one, 7-(benzoyloxy)-5-methyl-
CAS No: 113765-78-9 Catalog No: AG0009M8 MDL No:
Product Description
Catalog Number:
AG0009M8
Chemical Name:
2H-1-Benzopyran-2-one, 7-(benzoyloxy)-5-methyl-
CAS Number:
113765-78-9
Molecular Formula:
C17H12O4
Molecular Weight:
280.2748
IUPAC Name:
(5-methyl-2-oxochromen-7-yl) benzoate
InChI:
InChI=1S/C17H12O4/c1-11-9-13(10-15-14(11)7-8-16(18)21-15)20-17(19)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
IMMZPJIYLLBYQL-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)cc(cc2C)OC(=O)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.074g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.279g/mol
Monoisotopic Mass:
280.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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