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113963-02-3 | 2-Naphthalenecarboxylic acid, octyl ester
CAS No: 113963-02-3 Catalog No: AG000A5R MDL No:
Product Description
Catalog Number:
AG000A5R
Chemical Name:
2-Naphthalenecarboxylic acid, octyl ester
CAS Number:
113963-02-3
Molecular Formula:
C19H24O2
Molecular Weight:
284.3927
IUPAC Name:
octyl naphthalene-2-carboxylate
InChI:
InChI=1S/C19H24O2/c1-2-3-4-5-6-9-14-21-19(20)18-13-12-16-10-7-8-11-17(16)15-18/h7-8,10-13,15H,2-6,9,14H2,1H3
InChI Key:
JSKDBQXKMRCNEG-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.178g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.399g/mol
Monoisotopic Mass:
284.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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