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115109-57-4 | Pentanoic acid, 5-(4-formyl-3,5-dimethoxyphenoxy)-, ethyl ester
CAS No: 115109-57-4 Catalog No: AG000GAN MDL No:
Product Description
Catalog Number:
AG000GAN
Chemical Name:
Pentanoic acid, 5-(4-formyl-3,5-dimethoxyphenoxy)-, ethyl ester
CAS Number:
115109-57-4
Molecular Formula:
C16H22O6
Molecular Weight:
310.3423
IUPAC Name:
ethyl 5-(4-formyl-3,5-dimethoxyphenoxy)pentanoate
InChI:
InChI=1S/C16H22O6/c1-4-21-16(18)7-5-6-8-22-12-9-14(19-2)13(11-17)15(10-12)20-3/h9-11H,4-8H2,1-3H3
InChI Key:
UFGPXHZYSGZCPX-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCOc1cc(OC)c(c(c1)OC)C=O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.346g/mol
Monoisotopic Mass:
310.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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