Cas no 77897-27-9 (Benzenepropanoic acid, a-methyl-4-(1-methylethyl)-, (-)-)
77897-27-9 structure
Product Name:Benzenepropanoic acid, a-methyl-4-(1-methylethyl)-, (-)-
CAS No:77897-27-9
MF:C13H18O2
MW:206.280824184418
CID:551011
Update Time:2022-09-23
Benzenepropanoic acid, a-methyl-4-(1-methylethyl)-, (-)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-methyl-4-(1-methylethyl)-, (-)-
- 3-(4-Isopropylphenyl)-2-methylpropanoic acid
- Benzenepropanoic acid, -alpha--methyl-4-(1-methylethyl)-, (-)- (9CI)
- 2-METHYL-3-[4-(ISOPROPYL)PHENYL]-ACRYLIC ACID
- 2-Propenoic acid,2-methyl-3-[4-(1-methylethyl)phenyl]-
- 3-(4-isopropylphenyl)-2-methylacrylic acid
- 3-(4-isopropyl-phenyl)-2-methyl-acrylic acid
- 3-(4-Isopropyl-phenyl)-2-methyl-acrylsaeure
- 3-(4-isopropyl-phenyl)-2-methyl-propionic acid
- 3-(4-Isopropyl-phenyl)-2-methyl-propionsaeure
- AG-F-25327
- Cinnamicacid, p-isopropyl-a-methyl- (6CI,7CI)
- CTK4H5750
-
- Inchi： 1S/C13H18O2/c1-9(2)12-6-4-11(5-7-12)8-10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
- InChI Key： FLMVHZOJMRGXRO-UHFFFAOYSA-N
- SMILES： C1(CC(C)C(O)=O)=CC=C(C(C)C)C=C1
Computed Properties
- Exact Mass: 206.131
- Monoisotopic Mass: 206.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 203
- 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
Benzenepropanoic acid, a-methyl-4-(1-methylethyl)-, (-)- Related Literature
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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