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944906-41-6 | 3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid
CAS No: 944906-41-6 Catalog No: AG01CABA MDL No:MFCD10000818
Product Description
Catalog Number:
AG01CABA
Chemical Name:
3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid
CAS Number:
944906-41-6
Molecular Formula:
C7H10N2O3
Molecular Weight:
170.1659
MDL Number:
MFCD10000818
IUPAC Name:
3-tert-butyl-1,2,4-oxadiazole-5-carboxylic acid
InChI:
InChI=1S/C7H10N2O3/c1-7(2,3)6-8-4(5(10)11)12-9-6/h1-3H3,(H,10,11)
InChI Key:
KXCQFZZGMDXNGS-UHFFFAOYSA-N
SMILES:
OC(=O)c1onc(n1)C(C)(C)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.168g/mol
Monoisotopic Mass:
170.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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