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206055-86-9 | 5-Isoxazolemethanol, 3-(4-methoxyphenyl)-
CAS No: 206055-86-9 Catalog No: AG002AI3 MDL No:MFCD04124287
Product Description
Catalog Number:
AG002AI3
Chemical Name:
5-Isoxazolemethanol, 3-(4-methoxyphenyl)-
CAS Number:
206055-86-9
Molecular Formula:
C11H11NO3
Molecular Weight:
205.2099
MDL Number:
MFCD04124287
IUPAC Name:
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C11H11NO3/c1-14-9-4-2-8(3-5-9)11-6-10(7-13)15-12-11/h2-6,13H,7H2,1H3
InChI Key:
SROFDUACOHNMJB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1noc(c1)CO
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.213g/mol
Monoisotopic Mass:
205.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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