Cas no 102683-34-1 (Benzenepentanal, 3-methyl-)
Benzenepentanal, 3-methyl- structure
Product Name:Benzenepentanal, 3-methyl-
CAS No:102683-34-1
MF:C12H16O
MW:176.254843711853
CID:1133684
PubChem ID:13718151
Update Time:2025-04-20
Benzenepentanal, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanal, 3-methyl-
- 5-(3-methylphenyl)pentanal
- DTXSID20547508
- 102683-34-1
- SCHEMBL1299860
- 5-(m-Tolyl)pentanal
-
- Inchi： 1S/C12H16O/c1-11-6-5-8-12(10-11)7-3-2-4-9-13/h5-6,8-10H,2-4,7H2,1H3
- InChI Key： DKSNXHNNIYBTFP-UHFFFAOYSA-N
- SMILES： O=CCCCCC1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 142
- 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: 2.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Benzenepentanal, 3-methyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
102683-34-1 (Benzenepentanal, 3-methyl-) Related Products
- 2550-26-7(4-phenylbutan-2-one)
- 3318-61-4(1-Phenylpentane-2,4-dione)
- 25870-62-6(1-Phenyl-2-hexanone)
- 104-53-0(3-Phenylpropanal)
- 18328-11-5(4-Phenylbutanal)
- 14171-89-2(6-Phenylhexan-2-one)
- 29898-25-7(1-Phenyl-3-hexanone)
- 20795-51-1(1-Phenylpentan-3-one)
- 6683-92-7(1-Phenyl-2-pentanone)
- 104175-15-7(3-(4-ethylphenyl)propanal)
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