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13148-62-4

13148-62-4 | 1,3,4-Oxadiazole, 2-propyl-

CAS No: 13148-62-4 Catalog No: AG000WA3 MDL No:MFCD16877052

Product Description

Catalog Number:
AG000WA3
Chemical Name:
1,3,4-Oxadiazole, 2-propyl-
CAS Number:
13148-62-4
Molecular Formula:
C5H8N2O
Molecular Weight:
112.1298
MDL Number:
MFCD16877052
IUPAC Name:
2-propyl-1,3,4-oxadiazole
InChI:
InChI=1S/C5H8N2O/c1-2-3-5-7-6-4-8-5/h4H,2-3H2,1H3
InChI Key:
BFSHXTRKRLOBPR-UHFFFAOYSA-N
SMILES:
CCCc1nnco1

Properties

Complexity:
67.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.064g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
112.132g/mol
Monoisotopic Mass:
112.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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