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821783-48-6 | 2-Butenoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, ethyl ester
CAS No: 821783-48-6 Catalog No: AG005IPR MDL No:
Product Description
Catalog Number:
AG005IPR
Chemical Name:
2-Butenoic acid, 2-(4-chlorophenoxy)-3-hydroxy-, ethyl ester
CAS Number:
821783-48-6
Molecular Formula:
C12H13ClO4
Molecular Weight:
256.6822
IUPAC Name:
ethyl 2-(4-chlorophenoxy)-3-hydroxybut-2-enoate
InChI:
InChI=1S/C12H13ClO4/c1-3-16-12(15)11(8(2)14)17-10-6-4-9(13)5-7-10/h4-7,14H,3H2,1-2H3
InChI Key:
IHYILNQRUZWCIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(=C(O)C)Oc1ccc(cc1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
256.682g/mol
Monoisotopic Mass:
256.05g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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