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39794-77-9 | Tosylglycolic Acid
CAS No: 39794-77-9 Catalog No: AG003F4B MDL No:MFCD09892424
Product Description
Catalog Number:
AG003F4B
Chemical Name:
Tosylglycolic Acid
CAS Number:
39794-77-9
Molecular Formula:
C9H10O5S
Molecular Weight:
230.2377
MDL Number:
MFCD09892424
IUPAC Name:
2-(4-methylphenyl)sulfonyloxyacetic acid
InChI:
InChI=1S/C9H10O5S/c1-7-2-4-8(5-3-7)15(12,13)14-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
NSORSORRXHLKQV-UHFFFAOYSA-N
SMILES:
OC(S(=O)(=O)c1ccc(cc1)C)C(=O)O
NSC Number:
16555
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.234g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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