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489437-67-4 | [5-(morpholinomethyl)isoxazol-3-yl]methanol
CAS No: 489437-67-4 Catalog No: AG01CU6C MDL No:MFCD12022284
Product Description
Catalog Number:
AG01CU6C
Chemical Name:
[5-(morpholinomethyl)isoxazol-3-yl]methanol
CAS Number:
489437-67-4
Molecular Formula:
C9H14N2O3
Molecular Weight:
198.2191
MDL Number:
MFCD12022284
IUPAC Name:
[5-(morpholin-4-ylmethyl)-1,2-oxazol-3-yl]methanol
InChI:
InChI=1S/C9H14N2O3/c12-7-8-5-9(14-10-8)6-11-1-3-13-4-2-11/h5,12H,1-4,6-7H2
InChI Key:
QKXJJRHUTOKRRV-UHFFFAOYSA-N
SMILES:
OCc1noc(c1)CN1CCOCC1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.222g/mol
Monoisotopic Mass:
198.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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