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2060040-99-3 | 5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS No: 2060040-99-3 Catalog No: AG01BY7S MDL No:MFCD30488675
Product Description
Catalog Number:
AG01BY7S
Chemical Name:
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS Number:
2060040-99-3
Molecular Formula:
C11H17NO2
Molecular Weight:
195.2582
MDL Number:
MFCD30488675
IUPAC Name:
5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C11H17NO2/c1-11(2,3)7-4-5-9-8(6-7)10(13)12-14-9/h7H,4-6H2,1-3H3,(H,12,13)
InChI Key:
PPDXIDVLCPBWEN-UHFFFAOYSA-N
SMILES:
Oc1noc2c1CC(CC2)C(C)(C)C
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.262g/mol
Monoisotopic Mass:
195.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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