Cas no 4361-83-5 ((2E)-2-benzyl-3-phenylprop-2-enoic acid)
4361-83-5 structure
Product Name:(2E)-2-benzyl-3-phenylprop-2-enoic acid
CAS No:4361-83-5
MF:C16H14O2
MW:238.281164646149
CID:929105
PubChem ID:230795
Update Time:2025-04-19
(2E)-2-benzyl-3-phenylprop-2-enoic acid Chemical and Physical Properties
Names and Identifiers
-
- (2E)-2-benzyl-3-phenylprop-2-enoic acid
- 2-benzyl-3-phenylprop-2-enoic acid
- 1.3-Diphenyl-propen-(1)-carbonsaeure-(2)
- 2-benzyl-3-phenylacrylic acid
- 2-benzyl-3-phenyl-acrylic acid
- 2-Benzyl-3-phenyl-acrylsaeure
- AC1L5KAV
- CTK4I7622
- NCIStruc1_000370
- NCIStruc2_000403
- NSC26079
- SureCN58024
- SCHEMBL58024
- benzylcinnamic acid
- KNEFRHCUYCDKRK-UHFFFAOYSA-N
- HMS3080E03
- NCI60_002083
- SMR001548542
- 4361-83-5
- DS-012992
- MLS002639091
- 2-Benzyl-3-phenyl-prop-2-enoic acid
- CHEMBL1892305
- benzyl-3-phenylpropenoic acid
- DTXSID40282484
-
- Inchi： 1S/C16H14O2/c17-16(18)15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-11H,12H2,(H,17,18)
- InChI Key： KNEFRHCUYCDKRK-UHFFFAOYSA-N
- SMILES： OC(C(=CC1C=CC=CC=1)CC1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 238.09942
- Monoisotopic Mass: 238.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 294
- 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
- XLogP3: 2.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
- LogP: 3.39730
(2E)-2-benzyl-3-phenylprop-2-enoic acid Related Literature
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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