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125246-74-4 | 9H-Xanthen-9-one, 2-acetyl-5-bromo-1,3-dihydroxy-
CAS No: 125246-74-4 Catalog No: AG000NE8 MDL No:
Product Description
Catalog Number:
AG000NE8
Chemical Name:
9H-Xanthen-9-one, 2-acetyl-5-bromo-1,3-dihydroxy-
CAS Number:
125246-74-4
Molecular Formula:
C15H9BrO5
Molecular Weight:
349.1330
IUPAC Name:
2-acetyl-5-bromo-1,3-dihydroxyxanthen-9-one
InChI:
InChI=1S/C15H9BrO5/c1-6(17)11-9(18)5-10-12(14(11)20)13(19)7-3-2-4-8(16)15(7)21-10/h2-5,18,20H,1H3
InChI Key:
SVBQBKHIZWODHH-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(O)cc2c(c1O)c(=O)c1c(o2)c(Br)ccc1
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.963g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.136g/mol
Monoisotopic Mass:
347.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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