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90940-90-2

90940-90-2 | Benzene, [[2-methoxy-3-(octadecyloxy)propoxy]methyl]-

CAS No: 90940-90-2 Catalog No: AG006GDB MDL No:

Product Description

Catalog Number:
AG006GDB
Chemical Name:
Benzene, [[2-methoxy-3-(octadecyloxy)propoxy]methyl]-
CAS Number:
90940-90-2
Molecular Formula:
C29H52O3
Molecular Weight:
448.7214
IUPAC Name:
(2-methoxy-3-octadecoxypropoxy)methylbenzene
InChI:
InChI=1S/C29H52O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-31-26-29(30-2)27-32-25-28-22-19-18-20-23-28/h18-20,22-23,29H,3-17,21,24-27H2,1-2H3
InChI Key:
RRIJQHDAINYAFG-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCOCC(COCc1ccccc1)OC

Properties

Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.392g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
448.732g/mol
Monoisotopic Mass:
448.392g/mol
Rotatable Bond Count:
24  
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
10.2  

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