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113603-08-0 | 2-Naphthalenecarboxylic acid, dodecyl ester
CAS No: 113603-08-0 Catalog No: AG00093T MDL No:
Product Description
Catalog Number:
AG00093T
Chemical Name:
2-Naphthalenecarboxylic acid, dodecyl ester
CAS Number:
113603-08-0
Molecular Formula:
C23H32O2
Molecular Weight:
340.4990
IUPAC Name:
dodecyl naphthalene-2-carboxylate
InChI:
InChI=1S/C23H32O2/c1-2-3-4-5-6-7-8-9-10-13-18-25-23(24)22-17-16-20-14-11-12-15-21(20)19-22/h11-12,14-17,19H,2-10,13,18H2,1H3
InChI Key:
LDBZNGNKXVAWMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOC(=O)c1ccc2c(c1)cccc2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.24g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.507g/mol
Monoisotopic Mass:
340.24g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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