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78998-23-9 | Octanoic acid, 2-oxo-, 2-(2-naphthalenyl)ethyl ester
CAS No: 78998-23-9 Catalog No: AG005CKN MDL No:
Product Description
Catalog Number:
AG005CKN
Chemical Name:
Octanoic acid, 2-oxo-, 2-(2-naphthalenyl)ethyl ester
CAS Number:
78998-23-9
Molecular Formula:
C20H24O3
Molecular Weight:
312.4028
IUPAC Name:
2-naphthalen-2-ylethyl 2-oxooctanoate
InChI:
InChI=1S/C20H24O3/c1-2-3-4-5-10-19(21)20(22)23-14-13-16-11-12-17-8-6-7-9-18(17)15-16/h6-9,11-12,15H,2-5,10,13-14H2,1H3
InChI Key:
CXVMACVCHLPKKL-UHFFFAOYSA-N
SMILES:
CCCCCCC(=O)C(=O)OCCc1ccc2c(c1)cccc2
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.409g/mol
Monoisotopic Mass:
312.173g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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