Cas no 180274-33-3 (Benzenepropanal, 2-Methyl-4-(1-Methylethyl)-)
180274-33-3 structure
Product Name:Benzenepropanal, 2-Methyl-4-(1-Methylethyl)-
CAS No:180274-33-3
MF:C13H18O
MW:190.281424045563
CID:832789
PubChem ID:15271916
Update Time:2025-04-19
Benzenepropanal, 2-Methyl-4-(1-Methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal, 2-Methyl-4-(1-Methylethyl)-
- 2-METHYL-4-(1-METHYLETHYL)-BENZENEPROPANAL
- 3-(4-Isopropyl-2-methylphenyl)propanal
- LogP
-
- Inchi： 1S/C13H18O/c1-10(2)13-7-6-12(5-4-8-14)11(3)9-13/h6-10H,4-5H2,1-3H3
- InChI Key： NMDUUPWJBWOPKJ-UHFFFAOYSA-N
- SMILES： O=CCCC1C=CC(=CC=1C)C(C)C
Computed Properties
- Exact Mass: 190.13584
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzenepropanal, 2-Methyl-4-(1-Methylethyl)- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
180274-33-3 (Benzenepropanal, 2-Methyl-4-(1-Methylethyl)-) Related Products
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