Cas no 139155-54-7 (Benzaldehyde, 3-(2-methylpropyl)-)
139155-54-7 structure
Product Name:Benzaldehyde, 3-(2-methylpropyl)-
CAS No:139155-54-7
MF:C11H14O
MW:162.228263378143
CID:1262145
PubChem ID:22044176
Update Time:2025-04-20
Benzaldehyde, 3-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-(2-methylpropyl)-
- SCHEMBL4681720
- 139155-54-7
- 3-isobutylbenzaldehyde
- AKOS013202813
- PAKVVBUMZKSHFZ-UHFFFAOYSA-N
-
- Inchi： 1S/C11H14O/c1-9(2)6-10-4-3-5-11(7-10)8-12/h3-5,7-9H,6H2,1-2H3
- InChI Key： PAKVVBUMZKSHFZ-UHFFFAOYSA-N
- SMILES： O=CC1=CC=CC(=C1)CC(C)C
Computed Properties
- Exact Mass: 162.10452
- Monoisotopic Mass: 162.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 140
- 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: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzaldehyde, 3-(2-methylpropyl)- Related Literature
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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