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881181-43-7

881181-43-7 | ACETALDEHYDE, 2-[(1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-

CAS No: 881181-43-7 Catalog No: AG008CDL MDL No:MFCD24684946

Product Description

Catalog Number:
AG008CDL
Chemical Name:
ACETALDEHYDE, 2-[(1-METHYL-4-OXO-2,5-CYCLOHEXADIEN-1-YL)OXY]-
CAS Number:
881181-43-7
Molecular Formula:
C9H10O3
Molecular Weight:
166.1739
MDL Number:
MFCD24684946
IUPAC Name:
2-(1-methyl-4-oxocyclohexa-2,5-dien-1-yl)oxyacetaldehyde
InChI:
InChI=1S/C9H10O3/c1-9(12-7-6-10)4-2-8(11)3-5-9/h2-6H,7H2,1H3
InChI Key:
PXLHWPLTWZMDEU-UHFFFAOYSA-N
SMILES:
O=CCOC1(C)C=CC(=O)C=C1

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.176g/mol
Monoisotopic Mass:
166.063g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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