Cas no 1173023-76-1 (PYRENE)
PYRENE structure
Product Name:PYRENE
CAS No:1173023-76-1
MF:C16H10
MW:206.22122335434
CID:4471352
PubChem ID:71309432
Update Time:2025-04-24
PYRENE Chemical and Physical Properties
Names and Identifiers
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- PYRENE
- Pyrene-4,5,9,10-13C4
- 1173023-76-1
- DTXCID20696626
- (4,5,9,10-~13~C_4_)Pyrene
- DTXSID40745882
- Pyrene-4,5,9,10-13C4, 99 atom % 13C
-
- Inchi： 1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H/i7+1,8+1,9+1,10+1
- InChI Key： BBEAQIROQSPTKN-HZKSPUCSSA-N
- SMILES： C1=C2C3=C4C([13CH]=[13CH]2)=CC=CC4=[13CH][13CH]=C3C=C1
Computed Properties
- Exact Mass: 206.09166966Da
- Monoisotopic Mass: 206.09166966Da
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 4.9
- Topological Polar Surface Area: 0?2
PYRENE Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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