Home Carboxys ethyl 2-oxo-decahydronaphthalene-4a-carboxylate

ethyl 2-oxo-decahydronaphthalene-4a-carboxylate

CAS No.:
93088-54-1
Catalog Number:
AG01EJXC
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
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Product Description
Catalog Number:
AG01EJXC
Chemical Name:
ethyl 2-oxo-decahydronaphthalene-4a-carboxylate
CAS Number:
93088-54-1
Molecular Formula:
C13H20O3
Molecular Weight:
224.2961
MDL Number:
MFCD31666801
IUPAC Name:
ethyl 7-oxo-1,2,3,4,5,6,8,8a-octahydronaphthalene-4a-carboxylate
InChI:
InChI=1S/C13H20O3/c1-2-16-12(15)13-7-4-3-5-10(13)9-11(14)6-8-13/h10H,2-9H2,1H3
InChI Key:
ZIHARWRTSSAORZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCCCC2CC(=O)CC1
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.141g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.3g/mol
Monoisotopic Mass:
224.141g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties