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14633-17-1 | 5-Isoxazolemethanol, 3-(1-methylethyl)-
CAS No: 14633-17-1 Catalog No: AG001DX9 MDL No:MFCD10001572
Product Description
Catalog Number:
AG001DX9
Chemical Name:
5-Isoxazolemethanol, 3-(1-methylethyl)-
CAS Number:
14633-17-1
Molecular Formula:
C7H11NO2
Molecular Weight:
141.1677
MDL Number:
MFCD10001572
IUPAC Name:
(3-propan-2-yl-1,2-oxazol-5-yl)methanol
InChI:
InChI=1S/C7H11NO2/c1-5(2)7-3-6(4-9)10-8-7/h3,5,9H,4H2,1-2H3
InChI Key:
VMKFKVLYULJWFN-UHFFFAOYSA-N
SMILES:
OCc1onc(c1)C(C)C
Properties
Complexity:
106
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.079g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.17g/mol
Monoisotopic Mass:
141.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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