Cas no 62953-19-9 (Pentanedioic acid, 2-(2-phenylethyl)-)
62953-19-9 structure
Product Name:Pentanedioic acid, 2-(2-phenylethyl)-
CAS No:62953-19-9
MF:C13H16O4
MW:236.263744354248
CID:428338
PubChem ID:12364402
Update Time:2025-04-19
Pentanedioic acid, 2-(2-phenylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2-(2-phenylethyl)-
- 2-(2-phenylethyl)pentanedioic acid
- SCHEMBL7350860
- 62953-19-9
- DTXSID70494351
-
- Inchi： 1S/C13H16O4/c14-12(15)9-8-11(13(16)17)7-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)(H,16,17)
- InChI Key： WYFVOKQNTILPHC-UHFFFAOYSA-N
- SMILES： OC(C(CCC(=O)O)CCC1C=CC=CC=1)=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
Pentanedioic acid, 2-(2-phenylethyl)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
62953-19-9 (Pentanedioic acid, 2-(2-phenylethyl)-) Related Products
- 4165-96-2(3-phenylpentanedioic acid)
- 25177-85-9(2,3-Dihydro-1H-indene-2-carboxylic acid)
- 3972-36-9((S)-2-Benzylsuccinic acid)
- 21307-97-1((2R)-2-benzylbutanedioic acid)
- 116754-80-4(3-Methyl-15-phenylpentadecanoic acid)
- 1009-67-2(2-Methyl-3-phenylpropanoic Acid)
- 616-75-1(Benzylmalonic acid)
- 884-33-3(2-Benzylsuccinic acid)
- 104426-54-2(Benzenepentadecanoicacid, b,b-dimethyl-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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