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202817-06-9 | 3-Isoxazolemethanol,5-(1,1-dimethylethyl)-(9CI)
CAS No: 202817-06-9 Catalog No: AG00BUYK MDL No:MFCD17179007
Product Description
Catalog Number:
AG00BUYK
Chemical Name:
3-Isoxazolemethanol,5-(1,1-dimethylethyl)-(9CI)
CAS Number:
202817-06-9
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
MDL Number:
MFCD17179007
IUPAC Name:
(5-tert-butyl-1,2-oxazol-3-yl)methanol
InChI:
InChI=1S/C8H13NO2/c1-8(2,3)7-4-6(5-10)9-11-7/h4,10H,5H2,1-3H3
InChI Key:
ZEWDREDIDBZTAP-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)C(C)(C)C
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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