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849704-25-2 | Butanoic acid, 3-(4-chlorophenoxy)-2-hydroxy-, ethyl ester, (2S,3R)-
CAS No: 849704-25-2 Catalog No: AG004UJY MDL No:
Product Description
Catalog Number:
AG004UJY
Chemical Name:
Butanoic acid, 3-(4-chlorophenoxy)-2-hydroxy-, ethyl ester, (2S,3R)-
CAS Number:
849704-25-2
Molecular Formula:
C12H15ClO4
Molecular Weight:
258.6981
IUPAC Name:
ethyl (2S,3R)-3-(4-chlorophenoxy)-2-hydroxybutanoate
InChI:
InChI=1S/C12H15ClO4/c1-3-16-12(15)11(14)8(2)17-10-6-4-9(13)5-7-10/h4-8,11,14H,3H2,1-2H3/t8-,11+/m1/s1
InChI Key:
GZHSSDGHMRGGOG-KCJUWKMLSA-N
SMILES:
CCOC(=O)[C@H]([C@H](Oc1ccc(cc1)Cl)C)O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
258.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.698g/mol
Monoisotopic Mass:
258.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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