Cas no 92020-24-1 (Benzene, (3-methyl-2,4-hexadienyl)-)
92020-24-1 structure
Product Name:Benzene, (3-methyl-2,4-hexadienyl)-
CAS No:92020-24-1
MF:C13H16
MW:172.266143798828
CID:759035
PubChem ID:71328716
Update Time:2025-04-19
Benzene, (3-methyl-2,4-hexadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (3-methyl-2,4-hexadienyl)-
- 3-methylhexa-2,4-dienylbenzene
- 92020-24-1
- (3-Methylhexa-2,4-dien-1-yl)benzene
- DTXSID90757632
-
- Inchi： 1S/C13H16/c1-3-7-12(2)10-11-13-8-5-4-6-9-13/h3-10H,11H2,1-2H3
- InChI Key： HFTJASPCLSAMPN-UHFFFAOYSA-N
- SMILES： C(C=C(C=CC)C)C1C=CC=CC=1
Computed Properties
- Exact Mass: 172.125200510g/mol
- Monoisotopic Mass: 172.125200510g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 4.5
- Topological Polar Surface Area: 0?2
Benzene, (3-methyl-2,4-hexadienyl)- Related Literature
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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