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Home > Other Heterocycles > 68214-42-6
68214-42-6 | 11-methyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS No: 68214-42-6 Catalog No: AG005LPB MDL No:
Product Description
Catalog Number:
AG005LPB
Chemical Name:
11-methyl-2,4-diazaspiro[5.5]undec-8-ene-1,3,5-trione
CAS Number:
68214-42-6
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
1,4,5,8-tetraamino-2,3-dibromoanthracene-9,10-dione
InChI:
InChI=1S/C14H10Br2N4O2/c15-9-10(16)12(20)8-7(11(9)19)13(21)5-3(17)1-2-4(18)6(5)14(8)22/h1-2H,17-20H2
InChI Key:
UPFBCANRFNSDKE-UHFFFAOYSA-N
SMILES:
CC1CC=CCC21C(=O)NC(=O)NC2=O
EC Number:
269-293-2
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.915g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
426.068g/mol
Monoisotopic Mass:
423.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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