Cas no 1209-19-4 (Benzenepropanoic acid, 4-butyl-)
1209-19-4 structure
Product Name:Benzenepropanoic acid, 4-butyl-
CAS No:1209-19-4
MF:C13H18O2
MW:206.280824184418
CID:1211758
PubChem ID:25050993
Update Time:2025-04-20
Benzenepropanoic acid, 4-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, 4-butyl-
- 3-(4-butylphenyl)propanoic acid
- 1209-19-4
- ZKCKXVZFFQZNJA-UHFFFAOYSA-N
- 3-(4-n-Butylphenyl)propanoic acid
- DB-164824
- SCHEMBL1206307
-
- Inchi： 1S/C13H18O2/c1-2-3-4-11-5-7-12(8-6-11)9-10-13(14)15/h5-8H,2-4,9-10H2,1H3,(H,14,15)
- InChI Key： ZKCKXVZFFQZNJA-UHFFFAOYSA-N
- SMILES： OC(CCC1C=CC(=CC=1)CCCC)=O
Computed Properties
- Exact Mass: 206.130679813g/mol
- Monoisotopic Mass: 206.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 181
- 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: 3.6
- Topological Polar Surface Area: 37.3?2
Benzenepropanoic acid, 4-butyl- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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5. 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
1209-19-4 (Benzenepropanoic acid, 4-butyl-) Related Products
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- 4165-96-2(3-phenylpentanedioic acid)
- 3443-45-6(1-Pyrenebutyric acid)
- 4521-22-6(4-(p-Tolyl)butyric acid)
- 5581-75-9(6-Phenylhexanoic acid)
- 1505-50-6(3-(4-Methylphenyl)propanoic Acid)
- 782-28-5(2-Naphthalenebutanoic Acid)
- 1821-12-1(4-Phenylbutyric acid)
- 2270-20-4(5-Phenylvaleric acid)
- 26547-51-3(8-Phenyloctanoic acid)
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