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13717-91-4 | 1,2,4,5-Tetrazine, 3,6-diethyl-
CAS No: 13717-91-4 Catalog No: AG0012WL MDL No:
Product Description
Catalog Number:
AG0012WL
Chemical Name:
1,2,4,5-Tetrazine, 3,6-diethyl-
CAS Number:
13717-91-4
Molecular Formula:
C6H10N4
Molecular Weight:
138.1704
IUPAC Name:
3,6-diethyl-1,2,4,5-tetrazine
InChI:
InChI=1S/C6H10N4/c1-3-5-7-9-6(4-2)10-8-5/h3-4H2,1-2H3
InChI Key:
FJLNLVDWWLZFIP-UHFFFAOYSA-N
SMILES:
CCc1nnc(nn1)CC
Properties
Complexity:
75.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.091g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
138.174g/mol
Monoisotopic Mass:
138.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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