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Home > Aldehydes > 881181-57-3
881181-57-3 | ACETALDEHYDE, 2-[[1-(2-METHOXYETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS No: 881181-57-3 Catalog No: AG004IH5 MDL No:
Product Description
Catalog Number:
AG004IH5
Chemical Name:
ACETALDEHYDE, 2-[[1-(2-METHOXYETHYL)-4-OXO-2,5-CYCLOHEXADIEN-1-YL]OXY]-
CAS Number:
881181-57-3
Molecular Formula:
C11H14O4
Molecular Weight:
210.2265
IUPAC Name:
2-[1-(2-methoxyethyl)-4-oxocyclohexa-2,5-dien-1-yl]oxyacetaldehyde
InChI:
InChI=1S/C11H14O4/c1-14-8-6-11(15-9-7-12)4-2-10(13)3-5-11/h2-5,7H,6,8-9H2,1H3
InChI Key:
UHXRMTUQFMXRPI-UHFFFAOYSA-N
SMILES:
COCCC1(OCC=O)C=CC(=O)C=C1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.089g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.229g/mol
Monoisotopic Mass:
210.089g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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