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Home > Aldehydes > 922501-06-2
922501-06-2 | 3-Oxetaneacetaldehyde, 3-[4-(1,1-dimethylethyl)phenyl]-
CAS No: 922501-06-2 Catalog No: AG006E5G MDL No:
Product Description
Catalog Number:
AG006E5G
Chemical Name:
3-Oxetaneacetaldehyde, 3-[4-(1,1-dimethylethyl)phenyl]-
CAS Number:
922501-06-2
Molecular Formula:
C15H20O2
Molecular Weight:
232.3181
IUPAC Name:
2-[3-(4-tert-butylphenyl)oxetan-3-yl]acetaldehyde
InChI:
InChI=1S/C15H20O2/c1-14(2,3)12-4-6-13(7-5-12)15(8-9-16)10-17-11-15/h4-7,9H,8,10-11H2,1-3H3
InChI Key:
SUMZLZYFNMXEMZ-UHFFFAOYSA-N
SMILES:
O=CCC1(COC1)c1ccc(cc1)C(C)(C)C
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.323g/mol
Monoisotopic Mass:
232.146g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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