Cas no 52448-03-0 (m-Diallylbenzene)
m-Diallylbenzene structure
Product Name:m-Diallylbenzene
CAS No:52448-03-0
MF:C12H14
MW:158.239563465118
CID:936923
PubChem ID:22011144
Update Time:2024-11-02
m-Diallylbenzene Chemical and Physical Properties
Names and Identifiers
-
- m-Diallylbenzene
- 1,3-bis(prop-2-enyl)benzene
- DTXSID90621465
- 1,3-BIS(PROP-2-EN-1-YL)BENZENE
- 52448-03-0
- 1,3-Di(prop-2-en-1-yl)benzene
- 1,3-Diallylbenzene
-
- Inchi： InChI=1S/C12H14/c1-3-6-11-8-5-9-12(10-11)7-4-2/h3-5,8-10H,1-2,6-7H2
- InChI Key： VKRLAGBHJSNUSH-UHFFFAOYSA-N
- SMILES： C=CCC1=CC(=CC=C1)CC=C
Computed Properties
- Exact Mass: 158.11000
- Monoisotopic Mass: 158.109550447g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 130
- 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: 4.3
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 3.14360
m-Diallylbenzene Related Literature
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
52448-03-0 (m-Diallylbenzene) Related Products
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