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30992-68-8 | 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-
CAS No: 30992-68-8 Catalog No: AG0031VH MDL No:
Product Description
Catalog Number:
AG0031VH
Chemical Name:
2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-6-(phenylmethoxy)-
CAS Number:
30992-68-8
Molecular Formula:
C26H22O5
Molecular Weight:
414.4499
IUPAC Name:
4-hydroxy-3-(3-oxo-1-phenylbutyl)-6-phenylmethoxychromen-2-one
InChI:
InChI=1S/C26H22O5/c1-17(27)14-21(19-10-6-3-7-11-19)24-25(28)22-15-20(12-13-23(22)31-26(24)29)30-16-18-8-4-2-5-9-18/h2-13,15,21,28H,14,16H2,1H3
InChI Key:
ZYPCRNWFEICXBH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c(=O)oc2c(c1O)cc(cc2)OCc1ccccc1)c1ccccc1
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.147g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.457g/mol
Monoisotopic Mass:
414.147g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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