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Home > Aldehydes > 121705-84-8
121705-84-8 | 5-Isoxazolecarboxaldehyde, 3-(1,1-dimethylethyl)-4,5-dihydro- (9CI)
CAS No: 121705-84-8 Catalog No: AG00AII7 MDL No:
Product Description
Catalog Number:
AG00AII7
Chemical Name:
5-Isoxazolecarboxaldehyde, 3-(1,1-dimethylethyl)-4,5-dihydro- (9CI)
CAS Number:
121705-84-8
IUPAC Name:
3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C8H13NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h5-6H,4H2,1-3H3
InChI Key:
WDNWDNMKPKJBSA-UHFFFAOYSA-N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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