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Home > Aldehydes > 893749-85-4
893749-85-4 | 5-(MORPHOLINOMETHYL)ISOXAZOLE-3-CARBALDEHYDE
CAS No: 893749-85-4 Catalog No: AG003X74 MDL No:MFCD06804219
Product Description
Catalog Number:
AG003X74
Chemical Name:
5-(MORPHOLINOMETHYL)ISOXAZOLE-3-CARBALDEHYDE
CAS Number:
893749-85-4
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD06804219
IUPAC Name:
5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C9H12N2O3/c12-7-8-5-9(14-10-8)6-11-1-3-13-4-2-11/h5,7H,1-4,6H2
InChI Key:
AGLGFPIEVWZSLU-UHFFFAOYSA-N
SMILES:
O=Cc1noc(c1)CN1CCOCC1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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