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69809-24-1 | 4H-1-Benzopyran-4-one,5,8-dihydroxy-2-(2-phenylethyl)-
CAS No: 69809-24-1 Catalog No: AG005HO5 MDL No:
Product Description
Catalog Number:
AG005HO5
Chemical Name:
4H-1-Benzopyran-4-one,5,8-dihydroxy-2-(2-phenylethyl)-
CAS Number:
69809-24-1
Molecular Formula:
C17H14O4
Molecular Weight:
282.2907
IUPAC Name:
5,8-dihydroxy-2-(2-phenylethyl)chromen-4-one
InChI:
InChI=1S/C17H14O4/c18-13-8-9-14(19)17-16(13)15(20)10-12(21-17)7-6-11-4-2-1-3-5-11/h1-5,8-10,18-19H,6-7H2
InChI Key:
NKMJZJDVLMDPGO-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1oc(CCc1ccccc1)cc2=O)O
NSC Number:
626537
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.089g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
282.295g/mol
Monoisotopic Mass:
282.089g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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