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918300-44-4 | 4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-7,8-dihydroxy-
CAS No: 918300-44-4 Catalog No: AG006GI9 MDL No:
Product Description
Catalog Number:
AG006GI9
Chemical Name:
4H-1-Benzopyran-4-one, 6-bromo-2,3-dihydro-7,8-dihydroxy-
CAS Number:
918300-44-4
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
IUPAC Name:
6-bromo-7,8-dihydroxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H7BrO4/c10-5-3-4-6(11)1-2-14-9(4)8(13)7(5)12/h3,12-13H,1-2H2
InChI Key:
OEISWVJYKCLAKC-UHFFFAOYSA-N
SMILES:
O=C1CCOc2c1cc(Br)c(c2O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.055g/mol
Monoisotopic Mass:
257.953g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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