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Home > Aldehydes > 143604-70-0
143604-70-0 | 3-Isoxazolecarboxaldehyde, 5-hexyl-4,5-dihydro-
CAS No: 143604-70-0 Catalog No: AG006U9O MDL No:
Product Description
Catalog Number:
AG006U9O
Chemical Name:
3-Isoxazolecarboxaldehyde, 5-hexyl-4,5-dihydro-
CAS Number:
143604-70-0
Molecular Formula:
C10H17NO2
Molecular Weight:
183.2475
IUPAC Name:
5-hexyl-4,5-dihydro-1,2-oxazole-3-carbaldehyde
InChI:
InChI=1S/C10H17NO2/c1-2-3-4-5-6-10-7-9(8-12)11-13-10/h8,10H,2-7H2,1H3
InChI Key:
PQPGFKMQOKQNLU-UHFFFAOYSA-N
SMILES:
CCCCCCC1CC(=NO1)C=O
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.251g/mol
Monoisotopic Mass:
183.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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