Home Halogens 2-(4-chloro-2-methylphenoxy)-3-methoxypropanoic acid

2-(4-chloro-2-methylphenoxy)-3-methoxypropanoic acid

CAS No.:
1505803-98-4
Catalog Number:
AG01EKC8
Molecular Formula:
C11H13ClO4
Molecular Weight:
244.6715
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Product Description
Catalog Number:
AG01EKC8
Chemical Name:
2-(4-chloro-2-methylphenoxy)-3-methoxypropanoic acid
CAS Number:
1505803-98-4
Molecular Formula:
C11H13ClO4
Molecular Weight:
244.6715
MDL Number:
MFCD31667584
IUPAC Name:
2-(4-chloro-2-methylphenoxy)-3-methoxypropanoic acid
InChI:
InChI=1S/C11H13ClO4/c1-7-5-8(12)3-4-9(7)16-10(6-15-2)11(13)14/h3-5,10H,6H2,1-2H3,(H,13,14)
InChI Key:
KWSBLWJEYJZDMO-UHFFFAOYSA-N
SMILES:
COCC(C(=O)O)Oc1ccc(cc1C)Cl
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.05g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.671g/mol
Monoisotopic Mass:
244.05g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties