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113603-09-1 | 2-Naphthalenecarboxylic acid, hexadecyl ester
CAS No: 113603-09-1 Catalog No: AG00093S MDL No:
Product Description
Catalog Number:
AG00093S
Chemical Name:
2-Naphthalenecarboxylic acid, hexadecyl ester
CAS Number:
113603-09-1
Molecular Formula:
C27H40O2
Molecular Weight:
396.6053
IUPAC Name:
hexadecyl naphthalene-2-carboxylate
InChI:
InChI=1S/C27H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-29-27(28)26-21-20-24-18-15-16-19-25(24)23-26/h15-16,18-21,23H,2-14,17,22H2,1H3
InChI Key:
JTSSFOBVGPNSKC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.303g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.615g/mol
Monoisotopic Mass:
396.303g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.4
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