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1782-10-1

1782-10-1 | Hexadecanoic acid, 2-sulfo-

CAS No: 1782-10-1 Catalog No: AG0025U7 MDL No:

Product Description

Catalog Number:
AG0025U7
Chemical Name:
Hexadecanoic acid, 2-sulfo-
CAS Number:
1782-10-1
Molecular Formula:
C16H32O5S
Molecular Weight:
336.4873
IUPAC Name:
2-sulfohexadecanoic acid
InChI:
InChI=1S/C16H32O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(17)18)22(19,20)21/h15H,2-14H2,1H3,(H,17,18)(H,19,20,21)
InChI Key:
CJAJEZSCULAKCB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(S(=O)(=O)O)C(=O)O
EC Number:
217-230-4
NSC Number:
5111

Properties

Complexity:
373  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.197g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
336.487g/mol
Monoisotopic Mass:
336.197g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  

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