Home Other Building Blocks Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, octadecyl ester

Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, octadecyl ester

CAS No.:
138833-46-2
Catalog Number:
AG0019NO
Molecular Formula:
C38H48O5
Molecular Weight:
584.7847
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Product Description
Catalog Number:
AG0019NO
Chemical Name:
Benzoic acid, 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-, octadecyl ester
CAS Number:
138833-46-2
Molecular Formula:
C38H48O5
Molecular Weight:
584.7847
MDL Number:
MFCD00467709
IUPAC Name:
octadecyl 2-(3-hydroxy-6-oxoxanthen-9-yl)benzoate
InChI:
InChI=1S/C38H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-42-38(41)32-21-18-17-20-31(32)37-33-24-22-29(39)27-35(33)43-36-28-30(40)23-25-34(36)37/h17-18,20-25,27-28,39H,2-16,19,26H2,1H3
InChI Key:
UDHKRSZNYLYOEP-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOC(=O)c1ccccc1c1c2ccc(=O)cc2oc2c1ccc(c2)O
Properties
Complexity:
961  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.35g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
584.797g/mol
Monoisotopic Mass:
584.35g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.6  
Properties