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84612-46-4

84612-46-4 | 1,10-Anthracenedione, 9-(acetyloxy)-2-(dimethylamino)-

CAS No: 84612-46-4 Catalog No: AG004Q37 MDL No:

Product Description

Catalog Number:
AG004Q37
Chemical Name:
1,10-Anthracenedione, 9-(acetyloxy)-2-(dimethylamino)-
CAS Number:
84612-46-4
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
[2-(dimethylamino)-1,10-dioxoanthracen-9-yl] acetate
InChI:
InChI=1S/C18H15NO4/c1-10(20)23-18-12-7-5-4-6-11(12)16(21)13-8-9-14(19(2)3)17(22)15(13)18/h4-9H,1-3H3
InChI Key:
XPEWLSMZLDRVLL-UHFFFAOYSA-N
SMILES:
CC(=O)OC1=C2C(=O)C(=CC=C2C(=O)c2c1cccc2)N(C)C

Properties

Complexity:
681  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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