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Home > Other Building Blocks > 114438-54-9
114438-54-9 | 4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-
CAS No: 114438-54-9 Catalog No: AG000EE3 MDL No:
Product Description
Catalog Number:
AG000EE3
Chemical Name:
4H-1-Benzopyran-4-one, 7-hydroxy-2-(4-hydroxyphenyl)-3-methoxy-
CAS Number:
114438-54-9
Molecular Formula:
C16H12O5
Molecular Weight:
284.2635
IUPAC Name:
7-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
InChI:
InChI=1S/C16H12O5/c1-20-16-14(19)12-7-6-11(18)8-13(12)21-15(16)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChI Key:
BKGQDASNGPWTDI-UHFFFAOYSA-N
SMILES:
COc1c(oc2c(c1=O)ccc(c2)O)c1ccc(cc1)O
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.267g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Study on the constituents of Mexican propolis and their cytotoxic activity against PANC-1 human pancreatic cancer cells. | Journal of natural products 20100423 |
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