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METHYLTRIOCTYLAMMONIUM 2-MERCAPTOBENZOATE

CAS No.:
1027004-61-0
Catalog Number:
AG008XRG
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG008XRG
Chemical Name:
METHYLTRIOCTYLAMMONIUM 2-MERCAPTOBENZOATE
CAS Number:
1027004-61-0
MDL Number:
MFCD07784443
IUPAC Name:
2-carboxybenzenethiolate;methyl(trioctyl)azanium
InChI:
InChI=1S/C25H54N.C7H6O2S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;8-7(9)5-3-1-2-4-6(5)10/h5-25H2,1-4H3;1-4,10H,(H,8,9)/q+1;/p-1
InChI Key:
NJOSLBYBLJVAMY-UHFFFAOYSA-M
Properties
Complexity:
356  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.427g/mol
Formal Charge:
0
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
521.889g/mol
Monoisotopic Mass:
521.427g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties