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87206-95-9 | 3-tert-butyl-8b-hydroxy-3aH,4H,8bH-indeno[2,1-d][1,2]oxazol-4-one
CAS No: 87206-95-9 Catalog No: AG00ITDS MDL No:MFCD00129287
Product Description
Catalog Number:
AG00ITDS
Chemical Name:
3-tert-butyl-8b-hydroxy-3aH,4H,8bH-indeno[2,1-d][1,2]oxazol-4-one
CAS Number:
87206-95-9
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
MDL Number:
MFCD00129287
IUPAC Name:
3-tert-butyl-8b-hydroxy-3aH-indeno[2,3-d][1,2]oxazol-4-one
InChI:
InChI=1S/C14H15NO3/c1-13(2,3)12-10-11(16)8-6-4-5-7-9(8)14(10,17)18-15-12/h4-7,10,17H,1-3H3
InChI Key:
VTXNKJCYWOJRGL-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C2(C1C(=NO2)C(C)(C)C)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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