Cas no 114498-69-0 (pyren-1-ylmethyl 2-naphthalen-1-ylacetate)
114498-69-0 structure
Product Name:pyren-1-ylmethyl 2-naphthalen-1-ylacetate
CAS No:114498-69-0
MF:C29H20O2
MW:400.467907905579
CID:2612989
PubChem ID:13867004
Update Time:2025-04-21
pyren-1-ylmethyl 2-naphthalen-1-ylacetate Chemical and Physical Properties
Names and Identifiers
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- pyren-1-ylmethyl 2-naphthalen-1-ylacetate
- 114498-69-0
- DTXSID90551556
- (Pyren-1-yl)methyl (naphthalen-1-yl)acetate
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- Inchi： 1S/C29H20O2/c30-27(17-23-9-3-6-19-5-1-2-10-25(19)23)31-18-24-14-13-22-12-11-20-7-4-8-21-15-16-26(24)29(22)28(20)21/h1-16H,17-18H2
- InChI Key： JFYPGFRWODUXNP-UHFFFAOYSA-N
- SMILES： O(C(CC1=CC=CC2C=CC=CC1=2)=O)CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C43
Computed Properties
- Exact Mass: 400.146329876Da
- Monoisotopic Mass: 400.146329876Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 31
- Rotatable Bond Count: 5
- Complexity: 643
- 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: 7.6
- Topological Polar Surface Area: 26.3?2
pyren-1-ylmethyl 2-naphthalen-1-ylacetate Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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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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