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Home > Aldehydes > 881181-49-3
881181-49-3 | ACETALDEHYDE, 2-[[1-(1,1-DIMETHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-49-3 Catalog No: AG004IH7 MDL No:
Product Description
Catalog Number:
AG004IH7
Chemical Name:
ACETALDEHYDE, 2-[[1-(1,1-DIMETHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-49-3
Molecular Formula:
C12H16O3
Molecular Weight:
208.2536
IUPAC Name:
2-(1-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C12H16O3/c1-11(2,3)12(15-9-8-13)6-4-10(14)5-7-12/h4-8H,9H2,1-3H3
InChI Key:
AOBCQQYTYBUMNZ-UHFFFAOYSA-N
SMILES:
O=CCOC1(C=CC(=O)C=C1)C(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.257g/mol
Monoisotopic Mass:
208.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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