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206656-19-1 | Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)-, methyl ester
CAS No: 206656-19-1 Catalog No: AG002IKQ MDL No:
Product Description
Catalog Number:
AG002IKQ
Chemical Name:
Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)-, methyl ester
CAS Number:
206656-19-1
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
IUPAC Name:
methyl 5-(4-formyl-3-hydroxyphenoxy)pentanoate
InChI:
InChI=1S/C13H16O5/c1-17-13(16)4-2-3-7-18-11-6-5-10(9-14)12(15)8-11/h5-6,8-9,15H,2-4,7H2,1H3
InChI Key:
ANNLTIWNGIDYAI-UHFFFAOYSA-N
SMILES:
COC(=O)CCCCOc1ccc(c(c1)O)C=O
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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