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122714-53-8 | Butanoic acid, 4-(6-acetyl-3-hydroxy-2-propylphenoxy)-, ethyl ester
CAS No: 122714-53-8 Catalog No: AG000J1R MDL No:
Product Description
Catalog Number:
AG000J1R
Chemical Name:
Butanoic acid, 4-(6-acetyl-3-hydroxy-2-propylphenoxy)-, ethyl ester
CAS Number:
122714-53-8
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
ethyl 4-(6-acetyl-3-hydroxy-2-propylphenoxy)butanoate
InChI:
InChI=1S/C17H24O5/c1-4-7-14-15(19)10-9-13(12(3)18)17(14)22-11-6-8-16(20)21-5-2/h9-10,19H,4-8,11H2,1-3H3
InChI Key:
MEFUYKDJCOTBGV-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCOc1c(ccc(c1CCC)O)C(=O)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.162g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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