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162148-44-9 | 1,4,7,10-Tetraazacyclododecane-1,7-dicarboxylic acid, 1,7-diethenyl ester
CAS No: 162148-44-9 Catalog No: AG001SSY MDL No:
Product Description
Catalog Number:
AG001SSY
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,7-dicarboxylic acid, 1,7-diethenyl ester
CAS Number:
162148-44-9
Molecular Formula:
C14H24N4O4
Molecular Weight:
312.3648
IUPAC Name:
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
InChI:
InChI=1S/C14H24N4O4/c1-3-21-13(19)17-9-5-15-7-11-18(14(20)22-4-2)12-8-16-6-10-17/h3-4,15-16H,1-2,5-12H2
InChI Key:
PTUZRKZEVKQQEN-UHFFFAOYSA-N
SMILES:
C=COC(=O)N1CCNCCN(CCNCC1)C(=O)OC=C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.18g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
312.37g/mol
Monoisotopic Mass:
312.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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