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289685-84-3 | 1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxaldehyde
CAS No: 289685-84-3 Catalog No: AG002V18 MDL No:
Product Description
Catalog Number:
AG002V18
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7-tricarboxaldehyde
CAS Number:
289685-84-3
Molecular Formula:
C11H20N4O3
Molecular Weight:
256.3015
IUPAC Name:
1,4,7,10-tetrazacyclododecane-1,4,7-tricarbaldehyde
InChI:
InChI=1S/C11H20N4O3/c16-9-13-3-1-12-2-4-14(10-17)6-8-15(11-18)7-5-13/h9-12H,1-8H2
InChI Key:
MXMPYKMOMVBEBY-UHFFFAOYSA-N
SMILES:
O=CN1CCN(C=O)CCNCCN(CC1)C=O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.154g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.306g/mol
Monoisotopic Mass:
256.154g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.9
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