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309964-23-6 | Butanoic acid, 4-(4-formyl-3-methoxyphenoxy)-
CAS No: 309964-23-6 Catalog No: AG0031VU MDL No:MFCD01317807
Product Description
Catalog Number:
AG0031VU
Chemical Name:
Butanoic acid, 4-(4-formyl-3-methoxyphenoxy)-
CAS Number:
309964-23-6
Molecular Formula:
C12H14O5
Molecular Weight:
238.2366
MDL Number:
MFCD01317807
IUPAC Name:
4-(4-formyl-3-methoxyphenoxy)butanoic acid
InChI:
InChI=1S/C12H14O5/c1-16-11-7-10(5-4-9(11)8-13)17-6-2-3-12(14)15/h4-5,7-8H,2-3,6H2,1H3,(H,14,15)
InChI Key:
RHQAFYIBBWZTOI-UHFFFAOYSA-N
SMILES:
COc1cc(OCCCC(=O)O)ccc1C=O
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.239g/mol
Monoisotopic Mass:
238.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Solid-phase synthesis of highly diverse purine-hydroxyquinolinone bisheterocycles. | Journal of combinatorial chemistry 20101108 |
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