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144765-68-4 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-nonacosyl-
CAS No: 144765-68-4 Catalog No: AG001K58 MDL No:
Product Description
Catalog Number:
AG001K58
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-nonacosyl-
CAS Number:
144765-68-4
Molecular Formula:
C38H64O4
Molecular Weight:
584.9124
IUPAC Name:
5,7-dihydroxy-2-nonacosylchromen-4-one
InChI:
InChI=1S/C38H64O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-34-32-36(41)38-35(40)30-33(39)31-37(38)42-34/h30-32,39-40H,2-29H2,1H3
InChI Key:
YWHVAMQVWGSFPE-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1cc(=O)c2c(o1)cc(cc2O)O
Properties
Complexity:
674
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.48g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
584.926g/mol
Monoisotopic Mass:
584.48g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.7
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