Cas no 26372-51-0 (Heptanedioic acid,3-phenyl-)
Heptanedioic acid,3-phenyl- structure
Product Name:Heptanedioic acid,3-phenyl-
CAS No:26372-51-0
MF:C13H16O4
MW:236.263744354248
CID:277364
PubChem ID:299224
Update Time:2025-04-19
Heptanedioic acid,3-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Heptanedioic acid,3-phenyl-
- 3-phenylheptanedioic acid
- 26372-51-0
- DTXSID80305803
- NSC-171694
- NSC171694
- SCHEMBL14360707
-
- Inchi： 1S/C13H16O4/c14-12(15)8-4-7-11(9-13(16)17)10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)(H,16,17)
- InChI Key： SHPGSTDMKDEPKZ-UHFFFAOYSA-N
- SMILES： OC(CC(C1C=CC=CC=1)CCCC(=O)O)=O
Computed Properties
- Exact Mass: 236.10488
- Monoisotopic Mass: 236.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 256
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Heptanedioic acid,3-phenyl- Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
26372-51-0 (Heptanedioic acid,3-phenyl-) Related Products
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