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30992-81-5 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-
CAS No: 30992-81-5 Catalog No: AG0031VD MDL No:
Product Description
Catalog Number:
AG0031VD
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-
CAS Number:
30992-81-5
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
IUPAC Name:
4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]chromen-2-one
InChI:
InChI=1S/C19H16O5/c1-11(20)9-15(12-5-4-6-13(21)10-12)17-18(22)14-7-2-3-8-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3
InChI Key:
DDKYQGKCKYAWAT-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1cccc(c1)O
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.1g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.332g/mol
Monoisotopic Mass:
324.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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