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Home > Aldehydes > 121604-56-6
121604-56-6 | 5-Isoxazolecarboxaldehyde, 3-(1,1-dimethylethyl)- (9CI)
CAS No: 121604-56-6 Catalog No: AG00AIHP MDL No:
Product Description
Catalog Number:
AG00AIHP
Chemical Name:
5-Isoxazolecarboxaldehyde, 3-(1,1-dimethylethyl)- (9CI)
CAS Number:
121604-56-6
IUPAC Name:
3-tert-butyl-1,2-oxazole-5-carbaldehyde
InChI:
InChI=1S/C8H11NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h4-5H,1-3H3
InChI Key:
WSMQUBMTGWOJES-UHFFFAOYSA-N
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.079g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.181g/mol
Monoisotopic Mass:
153.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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