Home Carboxys ethyl 4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate

ethyl 4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate

CAS No.:
3118-10-3
Catalog Number:
AG01B8AJ
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
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Product Description
Catalog Number:
AG01B8AJ
Chemical Name:
ethyl 4-oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CAS Number:
3118-10-3
Molecular Formula:
C13H14O3
Molecular Weight:
218.2485
MDL Number:
MFCD16036952
IUPAC Name:
ethyl 4-oxo-2,3-dihydro-1H-naphthalene-1-carboxylate
InChI:
InChI=1S/C13H14O3/c1-2-16-13(15)11-7-8-12(14)10-6-4-3-5-9(10)11/h3-6,11H,2,7-8H2,1H3
InChI Key:
WWUNGEOMLFJTPZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)c2c1cccc2
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.252g/mol
Monoisotopic Mass:
218.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties