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Home > Aldehydes > 881181-65-3
881181-65-3 | ACETALDEHYDE, 2-[[3,5-BIS(1,1-DIMETHYLETHYL)-1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-65-3 Catalog No: AG004FSU MDL No:
Product Description
Catalog Number:
AG004FSU
Chemical Name:
ACETALDEHYDE, 2-[[3,5-BIS(1,1-DIMETHYLETHYL)-1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-65-3
Molecular Formula:
C17H26O3
Molecular Weight:
278.3865
IUPAC Name:
2-(3,5-ditert-butyl-1-methyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C17H26O3/c1-15(2,3)12-10-17(7,20-9-8-18)11-13(14(12)19)16(4,5)6/h8,10-11H,9H2,1-7H3
InChI Key:
IEDVJHCVRWHPKH-UHFFFAOYSA-N
SMILES:
O=CCOC1(C)C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.188g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.392g/mol
Monoisotopic Mass:
278.188g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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