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88420-33-1 | Propanoic acid, 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-, ethyl ester
CAS No: 88420-33-1 Catalog No: AG004EWE MDL No:
Product Description
Catalog Number:
AG004EWE
Chemical Name:
Propanoic acid, 2-(4-acetyl-3-hydroxy-2-propylphenoxy)-, ethyl ester
CAS Number:
88420-33-1
Molecular Formula:
C16H22O5
Molecular Weight:
294.3429
IUPAC Name:
ethyl 2-(4-acetyl-3-hydroxy-2-propylphenoxy)propanoate
InChI:
InChI=1S/C16H22O5/c1-5-7-13-14(21-11(4)16(19)20-6-2)9-8-12(10(3)17)15(13)18/h8-9,11,18H,5-7H2,1-4H3
InChI Key:
GUCDMIKCEANCTP-UHFFFAOYSA-N
SMILES:
CCCc1c(ccc(c1O)C(=O)C)OC(C(=O)OCC)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:
294.147g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.347g/mol
Monoisotopic Mass:
294.147g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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