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84849-02-5 | NAPHTHALEN-2-YLMETHYL ICOSANOATE
CAS No: 84849-02-5 Catalog No: AG004N3Q MDL No:
Product Description
Catalog Number:
AG004N3Q
Chemical Name:
NAPHTHALEN-2-YLMETHYL ICOSANOATE
CAS Number:
84849-02-5
Molecular Formula:
C31H48O2
Molecular Weight:
452.7116
IUPAC Name:
naphthalen-2-ylmethyl icosanoate
InChI:
InChI=1S/C31H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31(32)33-27-28-24-25-29-21-19-20-22-30(29)26-28/h19-22,24-26H,2-18,23,27H2,1H3
InChI Key:
VMZSWVNZWRBTDT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCC(=O)OCc1ccc2c(c1)cccc2
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
452.365g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
452.723g/mol
Monoisotopic Mass:
452.365g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.4
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