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17834-03-6 | 2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-
CAS No: 17834-03-6 Catalog No: AG0025Z0 MDL No:MFCD00272668
Product Description
Catalog Number:
AG0025Z0
Chemical Name:
2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-
CAS Number:
17834-03-6
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
MDL Number:
MFCD00272668
IUPAC Name:
4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
InChI:
InChI=1S/C19H16O5/c1-11(20)9-15(12-5-3-2-4-6-12)17-18(22)14-8-7-13(21)10-16(14)24-19(17)23/h2-8,10,15,21-22H,9H2,1H3
InChI Key:
SKFYEJMLNMTTJA-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c(=O)oc2c(c1O)ccc(c2)O)c1ccccc1
Properties
Complexity:
532
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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