Cas no 91121-60-7 (2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]-)
![2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/91500/91121-60-7x500.png)
91121-60-7 structure
Product Name:2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]-
CAS No:91121-60-7
MF:C14H18O2
MW:218.291524410248
CID:799252
PubChem ID:4182409
Update Time:2025-04-19
2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]-
- 2-Butenoicacid,3-[4-(2-methylpropyl)phenyl]-(9CI)
- 3-[4-(2-methylpropyl)phenyl]but-2-enoic acid
- DTXSID40400404
- 91121-60-7
- (E)-3-(4-(Isobutyl)phenyl)but-2-enoic acid
-
- Inchi： 1S/C14H18O2/c1-10(2)8-12-4-6-13(7-5-12)11(3)9-14(15)16/h4-7,9-10H,8H2,1-3H3,(H,15,16)
- InChI Key： AJTXFXLQDWEDDG-UHFFFAOYSA-N
- SMILES： OC(C=C(C)C1C=CC(=CC=1)CC(C)C)=O
Computed Properties
- Exact Mass: 218.131
- Monoisotopic Mass: 218.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 258
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 4.1
- Topological Polar Surface Area: 37.3?2
2-Butenoicacid, 3-[4-(2-methylpropyl)phenyl]- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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