Cas no 40476-23-1 (1-Methylpentacene)
1-Methylpentacene structure
Product Name:1-Methylpentacene
CAS No:40476-23-1
MF:C23H16
MW:292.373146057129
CID:2826299
PubChem ID:23505239
Update Time:2025-04-21
1-Methylpentacene Chemical and Physical Properties
Names and Identifiers
-
- Methylpentacen
- DTXCID70585334
- 40476-23-1
- DTXSID60634582
- 1-Methylpentacene
-
- Inchi： 1S/C23H16/c1-15-5-4-8-18-11-21-12-19-9-16-6-2-3-7-17(16)10-20(19)13-22(21)14-23(15)18/h2-14H,1H3
- InChI Key： SBPGLHSPFLNLPS-UHFFFAOYSA-N
- SMILES： C12C=C3C(C)=CC=CC3=CC1=CC1C=C3C=CC=CC3=CC=1C=2
Computed Properties
- Exact Mass: 292.125200510Da
- Monoisotopic Mass: 292.125200510Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 426
- 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: 7.3
- Topological Polar Surface Area: 0?2
1-Methylpentacene Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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