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108169-80-8 | 5-Isoxazolemethanol, 3-(1,1-dimethylethyl)-4,5-dihydro-, (5R)-
CAS No: 108169-80-8 Catalog No: AG0083XG MDL No:
Product Description
Catalog Number:
AG0083XG
Chemical Name:
5-Isoxazolemethanol, 3-(1,1-dimethylethyl)-4,5-dihydro-, (5R)-
CAS Number:
108169-80-8
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
[(5R)-3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h6,10H,4-5H2,1-3H3/t6-/m1/s1
InChI Key:
QKZPPUZEXMEYMU-ZCFIWIBFSA-N
SMILES:
OC[C@@H]1ON=C(C1)C(C)(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
157.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.213g/mol
Monoisotopic Mass:
157.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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