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2059999-53-8 | 5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS No: 2059999-53-8 Catalog No: AG01BY7P MDL No:MFCD30488672
Product Description
Catalog Number:
AG01BY7P
Chemical Name:
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-ol
CAS Number:
2059999-53-8
Molecular Formula:
C12H19NO2
Molecular Weight:
209.2848
MDL Number:
MFCD30488672
IUPAC Name:
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1,2-benzoxazol-3-one
InChI:
InChI=1S/C12H19NO2/c1-4-12(2,3)8-5-6-10-9(7-8)11(14)13-15-10/h8H,4-7H2,1-3H3,(H,13,14)
InChI Key:
BESSJXUYQDBTOB-UHFFFAOYSA-N
SMILES:
CCC(C1CCc2c(C1)c(O)no2)(C)C
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.142g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.289g/mol
Monoisotopic Mass:
209.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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