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1797174-00-5 | {5-[(tert-butoxy)methyl]-1,2-oxazol-3-yl}methanol
CAS No: 1797174-00-5 Catalog No: AG01AC6Y MDL No:MFCD26935993
Product Description
Catalog Number:
AG01AC6Y
Chemical Name:
{5-[(tert-butoxy)methyl]-1,2-oxazol-3-yl}methanol
CAS Number:
1797174-00-5
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD26935993
IUPAC Name:
[5-[(2-methylpropan-2-yl)oxymethyl]-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)12-6-8-4-7(5-11)10-13-8/h4,11H,5-6H2,1-3H3
InChI Key:
IFYAVQJEGPIONH-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)COC(C)(C)C
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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