Cas no 74648-04-7 (Benzenepropanoic acid, -alpha--methyl-4-(1-methylethyl)-, (+)- (9CI))
74648-04-7 structure
Product Name:Benzenepropanoic acid, -alpha--methyl-4-(1-methylethyl)-, (+)- (9CI)
CAS No:74648-04-7
MF:C13H18O2
MW:206.280824184418
CID:556966
Update Time:2023-03-29
Benzenepropanoic acid, -alpha--methyl-4-(1-methylethyl)-, (+)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzenepropanoic acid, a-methyl-4-(1-methylethyl)-, (+)-
- (+)-3-p-Cumenyl-2-methylpropionicacid
- Benzenepropanoic acid, -alpha--methyl-4-(1-methylethyl)-, (+)- (9CI)
- p-isopropyl-α-methyl-hydroxycinnamic acid
-
- 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, -alpha--methyl-4-(1-methylethyl)-, (+)- (9CI) Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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