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68514-41-0 | 2-methylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone
CAS No: 68514-41-0 Catalog No: AG00634C MDL No:
Product Description
Catalog Number:
AG00634C
Chemical Name:
2-methylisoquino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2h,9h)-tetrone
CAS Number:
68514-41-0
Molecular Formula:
C25H12N2O4
Molecular Weight:
404.3738
IUPAC Name:
2,9-dimethyldecan-5-one
InChI:
InChI=1S/C12H24O/c1-10(2)6-5-7-12(13)9-8-11(3)4/h10-11H,5-9H2,1-4H3
InChI Key:
DCKZDPOUHNXIBI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)c(=O)n(c1=O)C
EC Number:
271-043-2
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.183g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.323g/mol
Monoisotopic Mass:
184.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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