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820237-71-6

820237-71-6 | Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester

CAS No: 820237-71-6 Catalog No: AG005D94 MDL No:

Product Description

Catalog Number:
AG005D94
Chemical Name:
Butanoic acid, 4-(6-formyl-2-methyl-3-propoxyphenoxy)-, ethyl ester
CAS Number:
820237-71-6
Molecular Formula:
C17H24O5
Molecular Weight:
308.3695
IUPAC Name:
ethyl 4-(6-formyl-2-methyl-3-propoxyphenoxy)butanoate
InChI:
InChI=1S/C17H24O5/c1-4-10-21-15-9-8-14(12-18)17(13(15)3)22-11-6-7-16(19)20-5-2/h8-9,12H,4-7,10-11H2,1-3H3
InChI Key:
UOTIWBJTOJMKBX-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(c(c1C)OCCCC(=O)OCC)C=O

Properties

Complexity:
331  
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:
0
Isotope Atom Count:
0
Molecular Weight:
308.374g/mol
Monoisotopic Mass:
308.162g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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