Cas no 206656-20-4 (Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)-)
206656-20-4 structure
Product Name:Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)-
CAS No:206656-20-4
MF:C12H14O5
MW:238.236564159393
CID:1395403
PubChem ID:11075482
Update Time:2025-04-20
Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)-
- 5-(4-Formyl-3-hydroxyphenoxy)valeric acid
- 5-(4-formyl-3-hydroxyphenoxy)pentanoic Acid
- AKOS015966100
- SCHEMBL2558549
- 5-[4-formyl-3-hydroxy-phenoxy] pentanoic acid
- ZUKAQQVXQHIXDX-UHFFFAOYSA-N
- DB-381589
- 206656-20-4
-
- Inchi： 1S/C12H14O5/c13-8-9-4-5-10(7-11(9)14)17-6-2-1-3-12(15)16/h4-5,7-8,14H,1-3,6H2,(H,15,16)
- InChI Key： ZUKAQQVXQHIXDX-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=C(C=1)O)CCCCC(=O)O
Computed Properties
- Exact Mass: 238.08412
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 83.8?2
Experimental Properties
- PSA: 83.83
Pentanoic acid, 5-(4-formyl-3-hydroxyphenoxy)- Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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3. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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