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878140-14-8 | 1H-Tetrazole, 1-(1,1-dimethylpropyl)-
CAS No: 878140-14-8 Catalog No: AG004K4H MDL No:
Product Description
Catalog Number:
AG004K4H
Chemical Name:
1H-Tetrazole, 1-(1,1-dimethylpropyl)-
CAS Number:
878140-14-8
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
IUPAC Name:
1-(2-methylbutan-2-yl)tetrazole
InChI:
InChI=1S/C6H12N4/c1-4-6(2,3)10-5-7-8-9-10/h5H,4H2,1-3H3
InChI Key:
IXIYQAPZXJKREW-UHFFFAOYSA-N
SMILES:
CCC(n1cnnn1)(C)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.106g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.19g/mol
Monoisotopic Mass:
140.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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