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86979-33-1 | 1H-Tetrazole-1-methanol, 5-ethyl-
CAS No: 86979-33-1 Catalog No: AG004KT9 MDL No:
Product Description
Catalog Number:
AG004KT9
Chemical Name:
1H-Tetrazole-1-methanol, 5-ethyl-
CAS Number:
86979-33-1
Molecular Formula:
C4H8N4O
Molecular Weight:
128.1325
IUPAC Name:
(5-ethyltetrazol-1-yl)methanol
InChI:
InChI=1S/C4H8N4O/c1-2-4-5-6-7-8(4)3-9/h9H,2-3H2,1H3
InChI Key:
JLHVARUJZCHLSR-UHFFFAOYSA-N
SMILES:
CCc1nnnn1CO
Properties
Complexity:
88.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.07g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
128.135g/mol
Monoisotopic Mass:
128.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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