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100114-33-8 | 2H-Tetrazole, 2-(1-methylethyl)-
CAS No: 100114-33-8 Catalog No: AG00010B MDL No:
Product Description
Catalog Number:
AG00010B
Chemical Name:
2H-Tetrazole, 2-(1-methylethyl)-
CAS Number:
100114-33-8
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
IUPAC Name:
2-propan-2-yltetrazole
InChI:
InChI=1S/C4H8N4/c1-4(2)8-6-3-5-7-8/h3-4H,1-2H3
InChI Key:
GUCHKXYEXZMOHO-UHFFFAOYSA-N
SMILES:
CC(n1nncn1)C
Properties
Complexity:
72.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.075g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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