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141344-90-3 | 2,2(1H)-Naphthalenedicarboxylic acid, 4-hexyl-, 2,2-diethyl ester
CAS No: 141344-90-3 Catalog No: AG001G9Q MDL No:
Product Description
Catalog Number:
AG001G9Q
Chemical Name:
2,2(1H)-Naphthalenedicarboxylic acid, 4-hexyl-, 2,2-diethyl ester
CAS Number:
141344-90-3
Molecular Formula:
C22H30O4
Molecular Weight:
358.4712
IUPAC Name:
diethyl 4-hexyl-1H-naphthalene-2,2-dicarboxylate
InChI:
InChI=1S/C22H30O4/c1-4-7-8-9-12-17-15-22(20(23)25-5-2,21(24)26-6-3)16-18-13-10-11-14-19(17)18/h10-11,13-15H,4-9,12,16H2,1-3H3
InChI Key:
JRUBPNXZFRMYRG-UHFFFAOYSA-N
SMILES:
CCCCCCC1=CC(Cc2c1cccc2)(C(=O)OCC)C(=O)OCC
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.214g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
358.478g/mol
Monoisotopic Mass:
358.214g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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