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14608-27-6 | 9,10-Anthracenedione, 1-amino-5-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-
CAS No: 14608-27-6 Catalog No: AG001DO6 MDL No:
Product Description
Catalog Number:
AG001DO6
Chemical Name:
9,10-Anthracenedione, 1-amino-5-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-
CAS Number:
14608-27-6
Molecular Formula:
C31H18N2O3
Molecular Weight:
466.4862
IUPAC Name:
1-amino-5-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
InChI:
InChI=1S/C31H18N2O3/c32-23-12-4-10-21-27(23)30(35)22-11-5-13-25(28(22)31(21)36)33-24-15-14-17-16-6-1-2-7-18(16)29(34)20-9-3-8-19(24)26(17)20/h1-15,33H,32H2
InChI Key:
GOIRGOFDFRJVMG-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1C(=O)c1cccc(c1C2=O)Nc1ccc2c3c1cccc3C(=O)c1c2cccc1
EC Number:
238-645-7
Properties
Complexity:
918
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.132g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
466.496g/mol
Monoisotopic Mass:
466.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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