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7120-86-7 | 1,3,4-Oxadiazol-2(3H)-one,5-(1,1-dimethylethyl)-
CAS No: 7120-86-7 Catalog No: AG005K9E MDL No:MFCD18064637
Product Description
Catalog Number:
AG005K9E
Chemical Name:
1,3,4-Oxadiazol-2(3H)-one,5-(1,1-dimethylethyl)-
CAS Number:
7120-86-7
Molecular Formula:
C6H10N2O2
Molecular Weight:
142.1558
MDL Number:
MFCD18064637
IUPAC Name:
5-tert-butyl-3H-1,3,4-oxadiazol-2-one
InChI:
InChI=1S/C6H10N2O2/c1-6(2,3)4-7-8-5(9)10-4/h1-3H3,(H,8,9)
InChI Key:
RDYYZFFSCOVWIM-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(=O)o1)(C)C
EC Number:
230-423-8
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
142.074g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
142.158g/mol
Monoisotopic Mass:
142.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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