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13261-50-2 | 1,4-Naphthalenedione, 2-hydroxy-8-methoxy-
CAS No: 13261-50-2 Catalog No: AG0010WH MDL No:
Product Description
Catalog Number:
AG0010WH
Chemical Name:
1,4-Naphthalenedione, 2-hydroxy-8-methoxy-
CAS Number:
13261-50-2
Molecular Formula:
C11H8O4
Molecular Weight:
204.1788
IUPAC Name:
4-hydroxy-8-methoxynaphthalene-1,2-dione
InChI:
InChI=1S/C11H8O4/c1-15-9-4-2-3-6-7(12)5-8(13)11(14)10(6)9/h2-5,12H,1H3
InChI Key:
MTISENNBNSTRHU-UHFFFAOYSA-N
SMILES:
COc1cccc2c1C(=O)C(=CC2=O)O
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:
0.8
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