4H-1-Benzopyran-4-one, 3-hydroxy-2-(5-hydroxypentyl)-


Chemical Name: 4H-1-Benzopyran-4-one, 3-hydroxy-2-(5-hydroxypentyl)-
CAS Number: 267400-83-9
Product Number: AG00C2UU(AGN-PC-0L6CBS)
Synonyms:
MDL No:
Molecular Formula: C14H16O4
Molecular Weight: 248.27444

Identification/Properties


Computed Properties
Molecular Weight:
248.278g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
248.105g/mol
Monoisotopic Mass:
248.105g/mol
Topological Polar Surface Area:
66.8A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
335
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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