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24766-66-3 | 2,1-Benzisoxazole, 1-(1,1-dimethylethyl)-1,3-dihydro-
CAS No: 24766-66-3 Catalog No: AG002PD1 MDL No:
Product Description
Catalog Number:
AG002PD1
Chemical Name:
2,1-Benzisoxazole, 1-(1,1-dimethylethyl)-1,3-dihydro-
CAS Number:
24766-66-3
Molecular Formula:
C11H15NO
Molecular Weight:
177.2429
IUPAC Name:
1-tert-butyl-3H-2,1-benzoxazole
InChI:
InChI=1S/C11H15NO/c1-11(2,3)12-10-7-5-4-6-9(10)8-13-12/h4-7H,8H2,1-3H3
InChI Key:
MYILERCBVBJTOM-UHFFFAOYSA-N
SMILES:
CC(N1OCc2c1cccc2)(C)C
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.115g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.247g/mol
Monoisotopic Mass:
177.115g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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