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113931-83-2

113931-83-2 | Acetic acid, 2-[4-(acetyloxy)cyclohexylidene]-, ethyl ester

CAS No: 113931-83-2 Catalog No: AG000A2V MDL No:

Product Description

Catalog Number:
AG000A2V
Chemical Name:
Acetic acid, 2-[4-(acetyloxy)cyclohexylidene]-, ethyl ester
CAS Number:
113931-83-2
Molecular Formula:
C12H18O4
Molecular Weight:
226.2689
IUPAC Name:
ethyl 2-(4-acetyloxycyclohexylidene)acetate
InChI:
InChI=1S/C12H18O4/c1-3-15-12(14)8-10-4-6-11(7-5-10)16-9(2)13/h8,11H,3-7H2,1-2H3
InChI Key:
QOIZORNUTPHDSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)C=C1CCC(CC1)OC(=O)C

Properties

Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.121g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.272g/mol
Monoisotopic Mass:
226.121g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  

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