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1383132-94-2 | 5-Isoxazolemethanol, 4-(2-methylphenyl)-
CAS No: 1383132-94-2 Catalog No: AG0018IV MDL No:MFCD22200714
Product Description
Catalog Number:
AG0018IV
Chemical Name:
5-Isoxazolemethanol, 4-(2-methylphenyl)-
CAS Number:
1383132-94-2
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
MDL Number:
MFCD22200714
IUPAC Name:
[4-(2-methylphenyl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C11H11NO2/c1-8-4-2-3-5-9(8)10-6-12-14-11(10)7-13/h2-6,13H,7H2,1H3
InChI Key:
LFDKEVYINYWBFX-UHFFFAOYSA-N
SMILES:
OCc1oncc1c1ccccc1C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.214g/mol
Monoisotopic Mass:
189.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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