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883125-70-0 | 9,10-Anthracenedione, 3-amino-1,6,8-trimethoxy-
CAS No: 883125-70-0 Catalog No: AG0048PL MDL No:
Product Description
Catalog Number:
AG0048PL
Chemical Name:
9,10-Anthracenedione, 3-amino-1,6,8-trimethoxy-
CAS Number:
883125-70-0
Molecular Formula:
C17H15NO5
Molecular Weight:
313.3047
IUPAC Name:
3-amino-1,6,8-trimethoxyanthracene-9,10-dione
InChI:
InChI=1S/C17H15NO5/c1-21-9-6-11-15(13(7-9)23-3)17(20)14-10(16(11)19)4-8(18)5-12(14)22-2/h4-7H,18H2,1-3H3
InChI Key:
AEAARGZECLRCMR-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c2c(c1)C(=O)c1c(C2=O)c(OC)cc(c1)N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.309g/mol
Monoisotopic Mass:
313.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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