Cas no 58880-41-4 (2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic Acid)
![2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic Acid structure](https://ossimg.kuujia.com/scimg/59000/58880-41-4x500.png)
58880-41-4 structure
Product Name:2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic Acid
CAS No:58880-41-4
MF:C13H17ClO2
MW:240.725883245468
CID:1612417
PubChem ID:3041939
Update Time:2025-04-21
2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic Acid Chemical and Physical Properties
Names and Identifiers
-
- 2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic acid
- TAI 255
- 2-(3-Chloro-4-isobutylphenyl)propionic acid
- Propionic acid, 2-(3-chloro-4-isobutylphenyl)-
- AC1MIC9N
- CTK8J4854
- LS-124560
- DTXSID70974380
- DB-301752
- 58880-41-4
- Benzeneacetic acid, 3-chloro-alpha-methyl-4-(2-methylpropyl)-
- 2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic Acid
-
- Inchi： 1S/C13H17ClO2/c1-8(2)6-11-5-4-10(7-12(11)14)9(3)13(15)16/h4-5,7-9H,6H2,1-3H3,(H,15,16)
- InChI Key： ZHJFTHAIVITSPS-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CC=1CC(C)C)C(C(=O)O)C
Computed Properties
- Exact Mass: 240.09181
- Monoisotopic Mass: 240.0917075g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 240
- 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: 4.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic Acid 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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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