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115782-40-6 | 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-
CAS No: 115782-40-6 Catalog No: AG000GUJ MDL No:
Product Description
Catalog Number:
AG000GUJ
Chemical Name:
4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-2,3-dihydro-5,7-dihydroxy-
CAS Number:
115782-40-6
Molecular Formula:
C15H11ClO4
Molecular Weight:
290.6984
IUPAC Name:
2-(2-chlorophenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C15H11ClO4/c16-10-4-2-1-3-9(10)13-7-12(19)15-11(18)5-8(17)6-14(15)20-13/h1-6,13,17-18H,7H2
InChI Key:
PNVHHMNUNVWWMR-UHFFFAOYSA-N
SMILES:
Oc1cc2OC(CC(=O)c2c(c1)O)c1ccccc1Cl
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.699g/mol
Monoisotopic Mass:
290.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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