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Home > Aldehydes > 881181-47-1
881181-47-1 | ACETALDEHYDE, 2-[[1-(1-METHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-47-1 Catalog No: AG004FSW MDL No:
Product Description
Catalog Number:
AG004FSW
Chemical Name:
ACETALDEHYDE, 2-[[1-(1-METHYLETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-47-1
Molecular Formula:
C11H14O3
Molecular Weight:
194.2271
IUPAC Name:
2-(4-oxo-1-propan-2-ylcyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C11H14O3/c1-9(2)11(14-8-7-12)5-3-10(13)4-6-11/h3-7,9H,8H2,1-2H3
InChI Key:
NJLZNBHBBUJATA-UHFFFAOYSA-N
SMILES:
O=CCOC1(C=CC(=O)C=C1)C(C)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.23g/mol
Monoisotopic Mass:
194.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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