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52713-54-9 | 4-tert-butyl-1,3-oxazole
CAS No: 52713-54-9 Catalog No: AG01B1MH MDL No:MFCD31380981
Product Description
Catalog Number:
AG01B1MH
Chemical Name:
4-tert-butyl-1,3-oxazole
CAS Number:
52713-54-9
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
MDL Number:
MFCD31380981
IUPAC Name:
4-tert-butyl-1,3-oxazole
InChI:
InChI=1S/C7H11NO/c1-7(2,3)6-4-9-5-8-6/h4-5H,1-3H3
InChI Key:
MIXSQEGYNBTGCK-UHFFFAOYSA-N
SMILES:
CC(c1ncoc1)(C)C
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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