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Home > Aldehydes > 1227685-54-2
1227685-54-2 | 3-((3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy)benzaldehyde
CAS No: 1227685-54-2 Catalog No: AG000JG0 MDL No:MFCD13472721
Product Description
Catalog Number:
AG000JG0
Chemical Name:
3-((3-Cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy)benzaldehyde
CAS Number:
1227685-54-2
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
MDL Number:
MFCD13472721
IUPAC Name:
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
InChI:
InChI=1S/C13H12N2O3/c16-7-9-2-1-3-11(6-9)17-8-12-14-13(15-18-12)10-4-5-10/h1-3,6-7,10H,4-5,8H2
InChI Key:
SBAMUGMXJBOPFJ-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)OCc1onc(n1)C1CC1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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