Cas no 56376-63-7 (3-phenylhexanedioic Acid)
3-phenylhexanedioic Acid structure
Product Name:3-phenylhexanedioic Acid
CAS No:56376-63-7
MF:C12H14O4
MW:222.237164020538
CID:945284
PubChem ID:300423
Update Time:2025-04-19
3-phenylhexanedioic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-phenylhexanedioic Acid
- 3-phenyl-adipic acid
- 3-Phenyl-adipinsaeure
- AC1L6WAQ
- NSC174839
- SureCN2878463
- SCHEMBL2878463
- 56376-63-7
- DTXSID50306266
- 3-Phenyladipic acid
- NSC-174839
- ss-Phenyladipinsaure
- 3-Phenylhexanedioic Acid; NSC 174839;
-
- Inchi： 1S/C12H14O4/c13-11(14)7-6-10(8-12(15)16)9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,14)(H,15,16)
- InChI Key： FVQKPAFDGMJTDG-UHFFFAOYSA-N
- SMILES： OC(CC(C1C=CC=CC=1)CCC(=O)O)=O
Computed Properties
- Exact Mass: 222.08922
- Monoisotopic Mass: 222.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 243
- 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: 1.3
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
- LogP: 2.10970
3-phenylhexanedioic Acid Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
56376-63-7 (3-phenylhexanedioic Acid) Related Products
- 606-83-7(3,3-Diphenylpropionic acid)
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- 5581-75-9(6-Phenylhexanoic acid)
- 3972-36-9((S)-2-Benzylsuccinic acid)
- 900-91-4(3,3,3-Triphenylpropionic acid)
- 1010-48-6(3-Methyl-3-phenylbutanoic acid)
- 1821-12-1(4-Phenylbutyric acid)
- 2270-20-4(5-Phenylvaleric acid)
- 884-33-3(2-Benzylsuccinic acid)
- 26547-51-3(8-Phenyloctanoic acid)
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