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20662-47-9 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(2-methyl-1-aziridinyl)-, [R-(R*,R*)]- (9CI)
CAS No: 20662-47-9 Catalog No: AG002ILN MDL No:
Product Description
Catalog Number:
AG002ILN
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(2-methyl-1-aziridinyl)-, [R-(R*,R*)]- (9CI)
CAS Number:
20662-47-9
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
IUPAC Name:
2,5-bis[(2R)-2-methylaziridin-1-yl]cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C12H14N2O2/c1-7-5-13(7)9-3-12(16)10(4-11(9)15)14-6-8(14)2/h3-4,7-8H,5-6H2,1-2H3/t7-,8-,13?,14?/m1/s1
InChI Key:
JVACXZNHLRSLFZ-PTXFUZPWSA-N
SMILES:
C[C@@H]1CN1C1=CC(=O)C(=CC1=O)N1C[C@H]1C
NSC Number:
83705
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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