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102624-60-2 | Acetic acid, 2-(2-acetyl-6-chloro-3-hydroxy-4-propylphenoxy)-, ethyl ester
CAS No: 102624-60-2 Catalog No: AG0007YR MDL No:
Product Description
Catalog Number:
AG0007YR
Chemical Name:
Acetic acid, 2-(2-acetyl-6-chloro-3-hydroxy-4-propylphenoxy)-, ethyl ester
CAS Number:
102624-60-2
Molecular Formula:
C15H19ClO5
Molecular Weight:
314.7614
IUPAC Name:
ethyl 2-(2-acetyl-6-chloro-3-hydroxy-4-propylphenoxy)acetate
InChI:
InChI=1S/C15H19ClO5/c1-4-6-10-7-11(16)15(13(9(3)17)14(10)19)21-8-12(18)20-5-2/h7,19H,4-6,8H2,1-3H3
InChI Key:
GSFXNYLWRSXPPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)COc1c(Cl)cc(c(c1C(=O)C)O)CCC
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.092g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.762g/mol
Monoisotopic Mass:
314.092g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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