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1018662-21-9 | 3-Isoxazolemethanamine, 5-(4-methoxyphenyl)-
CAS No: 1018662-21-9 Catalog No: AG0005SA MDL No:MFCD09864171
Product Description
Catalog Number:
AG0005SA
Chemical Name:
3-Isoxazolemethanamine, 5-(4-methoxyphenyl)-
CAS Number:
1018662-21-9
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD09864171
IUPAC Name:
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
InChI:
InChI=1S/C11H12N2O2/c1-14-10-4-2-8(3-5-10)11-6-9(7-12)13-15-11/h2-6H,7,12H2,1H3
InChI Key:
JEVVHEACJGXPMC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(c1)CN
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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