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Home > Other Building Blocks > 137688-30-3
137688-30-3 | 1,2,4,5-Tetrazine, 1,4-dihydro-3-methyl-
CAS No: 137688-30-3 Catalog No: AG0013QO MDL No:
Product Description
Catalog Number:
AG0013QO
Chemical Name:
1,2,4,5-Tetrazine, 1,4-dihydro-3-methyl-
CAS Number:
137688-30-3
Molecular Formula:
C3H6N4
Molecular Weight:
98.1065
IUPAC Name:
3-methyl-1,4-dihydro-1,2,4,5-tetrazine
InChI:
InChI=1S/C3H6N4/c1-3-6-4-2-5-7-3/h2H,1H3,(H,4,5)(H,6,7)
InChI Key:
WUKVQAUAZXDXCR-UHFFFAOYSA-N
SMILES:
Cc1n[nH]cn[nH]1
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.059g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
98.109g/mol
Monoisotopic Mass:
98.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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