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146935-07-1 | 4H-1-Benzopyran-4-one, 7-(1,5-dimethylhexyl)-3-phenyl-
CAS No: 146935-07-1 Catalog No: AG001EFW MDL No:
Product Description
Catalog Number:
AG001EFW
Chemical Name:
4H-1-Benzopyran-4-one, 7-(1,5-dimethylhexyl)-3-phenyl-
CAS Number:
146935-07-1
Molecular Formula:
C23H26O2
Molecular Weight:
334.4513
IUPAC Name:
7-(6-methylheptan-2-yl)-3-phenylchromen-4-one
InChI:
InChI=1S/C23H26O2/c1-16(2)8-7-9-17(3)19-12-13-20-22(14-19)25-15-21(23(20)24)18-10-5-4-6-11-18/h4-6,10-17H,7-9H2,1-3H3
InChI Key:
TWAUKAYSROIROR-UHFFFAOYSA-N
SMILES:
CC(CCCC(c1ccc2c(c1)occ(c2=O)c1ccccc1)C)C
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.193g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.459g/mol
Monoisotopic Mass:
334.193g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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