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88861-36-3 | 2H-1-Benzopyran-4-carboxaldehyde, 7-(acetyloxy)-2-oxo-
CAS No: 88861-36-3 Catalog No: AG0049P9 MDL No:
Product Description
Catalog Number:
AG0049P9
Chemical Name:
2H-1-Benzopyran-4-carboxaldehyde, 7-(acetyloxy)-2-oxo-
CAS Number:
88861-36-3
Molecular Formula:
C12H8O5
Molecular Weight:
232.1889
IUPAC Name:
(4-formyl-2-oxochromen-7-yl) acetate
InChI:
InChI=1S/C12H8O5/c1-7(14)16-9-2-3-10-8(6-13)4-12(15)17-11(10)5-9/h2-6H,1H3
InChI Key:
SXVYHPBYCWPTOE-UHFFFAOYSA-N
SMILES:
O=Cc1cc(=O)oc2c1ccc(c2)OC(=O)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.191g/mol
Monoisotopic Mass:
232.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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