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15127-94-3 | 1,4-Naphthalenedione, 5-hydroxy-2-methoxy-
CAS No: 15127-94-3 Catalog No: AG001N8B MDL No:
Product Description
Catalog Number:
AG001N8B
Chemical Name:
1,4-Naphthalenedione, 5-hydroxy-2-methoxy-
CAS Number:
15127-94-3
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
5-hydroxy-2-methoxynaphthalene-1,4-dione
InChI:
InChI=1S/C11H8O4/c1-15-9-5-8(13)10-6(11(9)14)3-2-4-7(10)12/h2-5,12H,1H3
InChI Key:
GATGZQSBJAZYRT-UHFFFAOYSA-N
SMILES:
COC1=CC(=O)c2c(C1=O)cccc2O
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.181g/mol
Monoisotopic Mass:
204.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Triterpenoids from the roots of Pterospermum heterophyllum Hance. | Journal of Asian natural products research 20090701 |
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