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138617-44-4 | Benzenemethanol, 3-(3-isoxazolyl)-2-methyl-
CAS No: 138617-44-4 Catalog No: AG0018V8 MDL No:
Product Description
Catalog Number:
AG0018V8
Chemical Name:
Benzenemethanol, 3-(3-isoxazolyl)-2-methyl-
CAS Number:
138617-44-4
Molecular Formula:
C11H11NO2
Molecular Weight:
189.2105
IUPAC Name:
[2-methyl-3-(1,2-oxazol-3-yl)phenyl]methanol
InChI:
InChI=1S/C11H11NO2/c1-8-9(7-13)3-2-4-10(8)11-5-6-14-12-11/h2-6,13H,7H2,1H3
InChI Key:
YKDCUQOHXVXQDG-UHFFFAOYSA-N
SMILES:
OCc1cccc(c1C)c1nocc1
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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