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79749-62-5 | 1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester
CAS No: 79749-62-5 Catalog No: AG0056AK MDL No:
Product Description
Catalog Number:
AG0056AK
Chemical Name:
1-Propanesulfonic acid,3-hydroxy-, 3-sulfopropyl ester
CAS Number:
79749-62-5
Molecular Formula:
C6H14O7S2
Molecular Weight:
262.3012
IUPAC Name:
3-(3-hydroxypropylsulfonyloxy)propane-1-sulfonic acid
InChI:
InChI=1S/C6H14O7S2/c7-3-1-6-15(11,12)13-4-2-5-14(8,9)10/h7H,1-6H2,(H,8,9,10)
InChI Key:
DFPRQLAQGLLHCP-UHFFFAOYSA-N
SMILES:
OCCCS(=O)(=O)OCCCS(=O)(=O)O
EC Number:
279-249-4
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.018g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.291g/mol
Monoisotopic Mass:
262.018g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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