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101743-65-1 | 1-Naphthalenehexanoic acid, ε-oxo-, ethyl ester
CAS No: 101743-65-1 Catalog No: AG0005E0 MDL No:
Product Description
Catalog Number:
AG0005E0
Chemical Name:
1-Naphthalenehexanoic acid, ε-oxo-, ethyl ester
CAS Number:
101743-65-1
Molecular Formula:
C18H20O3
Molecular Weight:
284.3496
IUPAC Name:
ethyl 6-naphthalen-1-yl-6-oxohexanoate
InChI:
InChI=1S/C18H20O3/c1-2-21-18(20)13-6-5-12-17(19)16-11-7-9-14-8-3-4-10-15(14)16/h3-4,7-11H,2,5-6,12-13H2,1H3
InChI Key:
JOHYLMOCUQYBRZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(=O)c1cccc2c1cccc2
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.141g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.355g/mol
Monoisotopic Mass:
284.141g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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