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89226-89-1 | 1,4-Naphthalenedione, 6-amino-2,3-dimethoxy-
CAS No: 89226-89-1 Catalog No: AG0043GE MDL No:
Product Description
Catalog Number:
AG0043GE
Chemical Name:
1,4-Naphthalenedione, 6-amino-2,3-dimethoxy-
CAS Number:
89226-89-1
Molecular Formula:
C12H11NO4
Molecular Weight:
233.2200
IUPAC Name:
6-amino-2,3-dimethoxynaphthalene-1,4-dione
InChI:
InChI=1S/C12H11NO4/c1-16-11-9(14)7-4-3-6(13)5-8(7)10(15)12(11)17-2/h3-5H,13H2,1-2H3
InChI Key:
GXXCAZHJHDTMNP-UHFFFAOYSA-N
SMILES:
COC1=C(OC)C(=O)c2c(C1=O)cc(N)cc2
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.223g/mol
Monoisotopic Mass:
233.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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