Cas no 77067-15-3 (Benzene, (3-methyl-1,3-cyclopentadien-1-yl)-)
77067-15-3 structure
Product Name:Benzene, (3-methyl-1,3-cyclopentadien-1-yl)-
CAS No:77067-15-3
MF:C12H12
MW:156.223683357239
CID:536831
PubChem ID:17918630
Update Time:2025-04-19
Benzene, (3-methyl-1,3-cyclopentadien-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, (3-methyl-1,3-cyclopentadien-1-yl)-
- (3-methylcyclopenta-1,3-dien-1-yl)benzene
- DTXSID40591604
- 77067-15-3
-
- Inchi: 1S/C12H12/c1-10-7-8-12(9-10)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
- InChI Key: HEZUJRQEKOBRDV-UHFFFAOYSA-N
- SMILES: C1(C2C=CC=CC=2)=CC(C)=CC1
Computed Properties
- Exact Mass: 156.09396
- Monoisotopic Mass: 156.093900383g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 214
- 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
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, (3-methyl-1,3-cyclopentadien-1-yl)- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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