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68217-28-7 | 1,4-Naphthalenedione, 5-amino-8-methoxy-
CAS No: 68217-28-7 Catalog No: AG005LP8 MDL No:
Product Description
Catalog Number:
AG005LP8
Chemical Name:
1,4-Naphthalenedione, 5-amino-8-methoxy-
CAS Number:
68217-28-7
Molecular Formula:
C11H9NO3
Molecular Weight:
203.1941
IUPAC Name:
5-amino-8-methoxynaphthalene-1,4-dione
InChI:
InChI=1S/C11H9NO3/c1-15-9-5-2-6(12)10-7(13)3-4-8(14)11(9)10/h2-5H,12H2,1H3
InChI Key:
SVBWMBDHSJGBRW-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(=O)C=CC2=O)N
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.197g/mol
Monoisotopic Mass:
203.058g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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