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14389-13-0 | 2H-Tetrazole, 5-propyl-
CAS No: 14389-13-0 Catalog No: AG001IL8 MDL No:MFCD11156013
Product Description
Catalog Number:
AG001IL8
Chemical Name:
2H-Tetrazole, 5-propyl-
CAS Number:
14389-13-0
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
MDL Number:
MFCD11156013
IUPAC Name:
5-propyl-2H-tetrazole
InChI:
InChI=1S/C4H8N4/c1-2-3-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
InChI Key:
JAHCQVVOKAFXQU-UHFFFAOYSA-N
SMILES:
CCCc1n[nH]nn1
NSC Number:
11106
Properties
Complexity:
65.1
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:
1
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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