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99854-88-3 | 5-tert-butylbenzo[d]oxazol-2(3H)-one
CAS No: 99854-88-3 Catalog No: AG003W3T MDL No:MFCD08446987
Product Description
Catalog Number:
AG003W3T
Chemical Name:
5-tert-butylbenzo[d]oxazol-2(3H)-one
CAS Number:
99854-88-3
Molecular Formula:
C11H13NO2
Molecular Weight:
191.2264
MDL Number:
MFCD08446987
IUPAC Name:
5-tert-butyl-3H-1,3-benzoxazol-2-one
InChI:
InChI=1S/C11H13NO2/c1-11(2,3)7-4-5-9-8(6-7)12-10(13)14-9/h4-6H,1-3H3,(H,12,13)
InChI Key:
CSKXTTYRNZFYNH-UHFFFAOYSA-N
SMILES:
O=c1oc2c([nH]1)cc(cc2)C(C)(C)C
Properties
Complexity:
244
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.23g/mol
Monoisotopic Mass:
191.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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