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821783-50-0 | Butanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, (2R,3S)-
CAS No: 821783-50-0 Catalog No: AG005IPP MDL No:
Product Description
Catalog Number:
AG005IPP
Chemical Name:
Butanoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, (2R,3S)-
CAS Number:
821783-50-0
Molecular Formula:
C10H11ClO4
Molecular Weight:
230.6449
IUPAC Name:
(2R,3S)-2-(4-chlorophenoxy)-3-hydroxybutanoic acid
InChI:
InChI=1S/C10H11ClO4/c1-6(12)9(10(13)14)15-8-4-2-7(11)3-5-8/h2-6,9,12H,1H3,(H,13,14)/t6-,9+/m0/s1
InChI Key:
DBPYVVABUXMHQN-IMTBSYHQSA-N
SMILES:
C[C@@H]([C@H](C(=O)O)Oc1ccc(cc1)Cl)O
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
230.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
230.644g/mol
Monoisotopic Mass:
230.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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