Cas no 6342-85-4 (Benzenepentanoicacid, 4-hydroxy-3-methoxy-)
6342-85-4 structure
Product Name:Benzenepentanoicacid, 4-hydroxy-3-methoxy-
CAS No:6342-85-4
MF:C12H16O4
MW:224.253044128418
CID:529526
PubChem ID:240452
Update Time:2025-04-19
Benzenepentanoicacid, 4-hydroxy-3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanoicacid, 4-hydroxy-3-methoxy-
- 5-(4-hydroxy-3-methoxyphenyl)pentanoic acid
- 5-(4-Hydroxy-3-methoxy-phenyl)-valeriansaeure
- AC1L6580
- AC1Q5W3P
- AG-J-28728
- AR-1G5298
- CTK2F9008
- NSC46655
- SureCN7824983
-
- Inchi： 1S/C12H16O4/c1-16-11-8-9(6-7-10(11)13)4-2-3-5-12(14)15/h6-8,13H,2-5H2,1H3,(H,14,15)
- InChI Key： JQQIWBPHESZYNN-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=CC(=C1)CCCCC(=O)O)O
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 217
- 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: 1.6
- Topological Polar Surface Area: 66.8?2
Experimental Properties
- PSA: 66.76
- LogP: 2.19820
Benzenepentanoicacid, 4-hydroxy-3-methoxy- Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
6342-85-4 (Benzenepentanoicacid, 4-hydroxy-3-methoxy-) Related Products
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