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189569-99-1 | 1,3,4-Oxadiazole, 2-butyl-5-methyl-
CAS No: 189569-99-1 Catalog No: AG002DRI MDL No:
Product Description
Catalog Number:
AG002DRI
Chemical Name:
1,3,4-Oxadiazole, 2-butyl-5-methyl-
CAS Number:
189569-99-1
Molecular Formula:
C7H12N2O
Molecular Weight:
140.1830
IUPAC Name:
2-butyl-5-methyl-1,3,4-oxadiazole
InChI:
InChI=1S/C7H12N2O/c1-3-4-5-7-9-8-6(2)10-7/h3-5H2,1-2H3
InChI Key:
UPQRXUXRLRHVSH-UHFFFAOYSA-N
SMILES:
CCCCc1nnc(o1)C
Properties
Complexity:
97.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.095g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
140.186g/mol
Monoisotopic Mass:
140.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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