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921758-98-7

921758-98-7 | Benzoic acid, 2,6-dihydroxy-, octadecyl ester

CAS No: 921758-98-7 Catalog No: AG006GPI MDL No:

Product Description

Catalog Number:
AG006GPI
Chemical Name:
Benzoic acid, 2,6-dihydroxy-, octadecyl ester
CAS Number:
921758-98-7
Molecular Formula:
C25H42O4
Molecular Weight:
406.5986
IUPAC Name:
octadecyl 2,6-dihydroxybenzoate
InChI:
InChI=1S/C25H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-25(28)24-22(26)19-18-20-23(24)27/h18-20,26-27H,2-17,21H2,1H3
InChI Key:
AGAVPVCPANXCAV-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1c(O)cccc1O

Properties

Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.308g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
406.607g/mol
Monoisotopic Mass:
406.308g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4  

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