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89114-28-3 | Benzoxazole, 2-(1,1-dimethylethoxy)-
CAS No: 89114-28-3 Catalog No: AG003ZR0 MDL No:
Product Description
Catalog Number:
AG003ZR0
Chemical Name:
Benzoxazole, 2-(1,1-dimethylethoxy)-
CAS Number:
89114-28-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
IUPAC Name:
2-[(2-methylpropan-2-yl)oxy]-1,3-benzoxazole
InChI:
InChI=1S/C11H13NO2/c1-11(2,3)14-10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3
InChI Key:
NOQCRQAVECHJIO-UHFFFAOYSA-N
SMILES:
CC(Oc1nc2c(o1)cccc2)(C)C
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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