Home Carboxys ethyl 6-oxo-octahydro-1H-indene-3a-carboxylate

ethyl 6-oxo-octahydro-1H-indene-3a-carboxylate

CAS No.:
97180-66-0
Catalog Number:
AG01EJXY
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
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Product Description
Catalog Number:
AG01EJXY
Chemical Name:
ethyl 6-oxo-octahydro-1H-indene-3a-carboxylate
CAS Number:
97180-66-0
Molecular Formula:
C12H18O3
Molecular Weight:
210.2695
MDL Number:
MFCD31665148
IUPAC Name:
ethyl 6-oxo-2,3,4,5,7,7a-hexahydro-1H-indene-3a-carboxylate
InChI:
InChI=1S/C12H18O3/c1-2-15-11(14)12-6-3-4-9(12)8-10(13)5-7-12/h9H,2-8H2,1H3
InChI Key:
WUEVMRBXTWODMK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C12CCCC2CC(=O)CC1
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.126g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.273g/mol
Monoisotopic Mass:
210.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties