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183134-28-3 | Propanoic acid, 2-mercapto-, 2,3-dihydroxypropyl ester
CAS No: 183134-28-3 Catalog No: AG0024ER MDL No:
Product Description
Catalog Number:
AG0024ER
Chemical Name:
Propanoic acid, 2-mercapto-, 2,3-dihydroxypropyl ester
CAS Number:
183134-28-3
Molecular Formula:
C6H12O4S
Molecular Weight:
180.2221
IUPAC Name:
2,3-dihydroxypropyl 2-sulfanylpropanoate
InChI:
InChI=1S/C6H12O4S/c1-4(11)6(9)10-3-5(8)2-7/h4-5,7-8,11H,2-3H2,1H3
InChI Key:
MZCAZOUPSJQYMW-UHFFFAOYSA-N
SMILES:
CC(C(=O)OCC(CO)O)S
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.046g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.218g/mol
Monoisotopic Mass:
180.046g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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