Cas no 173445-39-1 (Benzenepropanal, 3-(1,1-diMethylethyl)-5-Methyl-)
173445-39-1 structure
Product Name:Benzenepropanal, 3-(1,1-diMethylethyl)-5-Methyl-
CAS No:173445-39-1
MF:C14H20O
MW:204.308004379272
CID:832787
Update Time:2026-04-29
Benzenepropanal, 3-(1,1-diMethylethyl)-5-Methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanal, 3-(1,1-diMethylethyl)-5-Methyl-
- LogP
- 3-(1,1-DIMETHYLETHYL)-5-METHYL-BENZENEPROPANAL
- 3-[3-Methyl-5-(2-methyl-2-propanyl)phenyl]propanal
-
- Inchi： InChI=1S/C14H20O/c1-11-8-12(6-5-7-15)10-13(9-11)14(2,3)4/h7-10H,5-6H2,1-4H3
- InChI Key： YYMDVFBICNBATN-UHFFFAOYSA-N
- SMILES： CC1=CC(=CC(=C1)C(C)(C)C)CCC=O
Computed Properties
- Exact Mass: 204.1515
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
Experimental Properties
- PSA: 17.07
Benzenepropanal, 3-(1,1-diMethylethyl)-5-Methyl- Related Literature
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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