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7252-81-5 | 5,8-dimethyl-5,6a,6b,8,12b,12c-hexahydrocyclobuta[1,2-c:4,3-c']diquinoline-6,7-dione
CAS No: 7252-81-5 Catalog No: AG005R69 MDL No:
Product Description
Catalog Number:
AG005R69
Chemical Name:
5,8-dimethyl-5,6a,6b,8,12b,12c-hexahydrocyclobuta[1,2-c:4,3-c']diquinoline-6,7-dione
CAS Number:
7252-81-5
Molecular Formula:
C20H18N2O2
Molecular Weight:
318.3691
IUPAC Name:
9,14-dimethyl-9,14-diazapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
InChI:
InChI=1S/C20H18N2O2/c1-21-13-9-5-3-7-11(13)15-16-12-8-4-6-10-14(12)22(2)20(24)18(16)17(15)19(21)23/h3-10,15-18H,1-2H3
InChI Key:
KDEPASFFKZXGPG-UHFFFAOYSA-N
SMILES:
O=C1C2C3C(C2c2c(N1C)cccc2)c1ccccc1N(C3=O)C
NSC Number:
73595
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.376g/mol
Monoisotopic Mass:
318.137g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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