Cas no 832688-84-3 (1,4-Benzenedibutanal)
1,4-Benzenedibutanal structure
Product Name:1,4-Benzenedibutanal
CAS No:832688-84-3
MF:C14H18O2
MW:218.291524410248
CID:675535
PubChem ID:57090532
Update Time:2025-04-19
1,4-Benzenedibutanal Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedibutanal
- 4-[4-(4-oxobutyl)phenyl]butanal
- DTXSID40720270
- 4,4'-(1,4-Phenylene)dibutanal
- 832688-84-3
-
- Inchi： 1S/C14H18O2/c15-11-3-1-5-13-7-9-14(10-8-13)6-2-4-12-16/h7-12H,1-6H2
- InChI Key： PQRIUTLZEVWOMZ-UHFFFAOYSA-N
- SMILES： O=CCCCC1C=CC(=CC=1)CCCC=O
Computed Properties
- Exact Mass: 218.130679813g/mol
- Monoisotopic Mass: 218.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 8
- Complexity: 171
- 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
- Topological Polar Surface Area: 34.1?2
1,4-Benzenedibutanal Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
832688-84-3 (1,4-Benzenedibutanal) Related Products
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- 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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