200,000+ products from a single source!
sales@angenechem.com
821783-49-7 | Butanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, ethyl ester, (2R,3S)-
CAS No: 821783-49-7 Catalog No: AG005IPQ MDL No:
Product Description
Catalog Number:
AG005IPQ
Chemical Name:
Butanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, ethyl ester, (2R,3S)-
CAS Number:
821783-49-7
Molecular Formula:
C12H15ClO4
Molecular Weight:
258.6981
IUPAC Name:
ethyl (2R,3S)-2-(4-chlorophenoxy)-3-hydroxybutanoate
InChI:
InChI=1S/C12H15ClO4/c1-3-16-12(15)11(8(2)14)17-10-6-4-9(13)5-7-10/h4-8,11,14H,3H2,1-2H3/t8-,11+/m0/s1
InChI Key:
YKDDRVBXECKGDI-GZMMTYOYSA-N
SMILES:
CCOC(=O)[C@@H]([C@@H](O)C)Oc1ccc(cc1)Cl
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.