Cas no 5628-72-8 (2-Methyl-3-phenylpropanoic acid)
5628-72-8 structure
Product Name:2-Methyl-3-phenylpropanoic acid
CAS No:5628-72-8
MF:C10H12O2
MW:164.201083183289
CID:2667141
Update Time:2023-08-06
2-Methyl-3-phenylpropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- (+/-)-alpha-methylhydrocinnamic acid
- 2-Methyl-3-phenylpropanoic acid
- 2-Benzylpropionic acid
- alpha-Methylhydrocinnamic acid
- 2-Methyl-3-phenylpropionic acid
- 2-Benzylpropanoic acid
- 2-methyl-3-phenyl-propionic acid
- MCIIDRLDHRQKPH-UHFFFAOYSA-N
- Benzenepropanoic acid, alpha-methyl-
- alpha-methylhydrocinnamicacid
- alpha-Methyl-hydrocinnamic acid
- 2-Methyl-3-phenylpropanoic acid #
- NSC243716
-
- Inchi： 1S/C10H12O2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)
- InChI Key： MCIIDRLDHRQKPH-UHFFFAOYSA-N
- SMILES： OC(C(C)CC1C=CC=CC=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 148
- XLogP3: 2.1
- Topological Polar Surface Area: 37.3
2-Methyl-3-phenylpropanoic acid Related Literature
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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