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82513-78-8 | 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-pentadecyl-
CAS No: 82513-78-8 Catalog No: AG004UIN MDL No:
Product Description
Catalog Number:
AG004UIN
Chemical Name:
4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-pentadecyl-
CAS Number:
82513-78-8
Molecular Formula:
C24H36O4
Molecular Weight:
388.5402
IUPAC Name:
5,7-dihydroxy-2-pentadecylchromen-4-one
InChI:
InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-22(27)24-21(26)16-19(25)17-23(24)28-20/h16-18,25-26H,2-15H2,1H3
InChI Key:
ASOPTATVXGFPQP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cc(=O)c2c(o1)cc(cc2O)O
NSC Number:
626777
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.261g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.548g/mol
Monoisotopic Mass:
388.261g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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