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110212-86-7 | 3-Isoxazolemethanol, 5-(1,1-dimethylethyl)-4,5-dihydro-
CAS No: 110212-86-7 Catalog No: AG008496 MDL No:
Product Description
Catalog Number:
AG008496
Chemical Name:
3-Isoxazolemethanol, 5-(1,1-dimethylethyl)-4,5-dihydro-
CAS Number:
110212-86-7
Molecular Formula:
C8H15NO2
Molecular Weight:
157.2102
IUPAC Name:
(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)methanol
InChI:
InChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)9-11-7/h7,10H,4-5H2,1-3H3
InChI Key:
LKRRIIFJGFDCOR-UHFFFAOYSA-N
SMILES:
OCC1=NOC(C1)C(C)(C)C
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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