Cas no 111077-41-9 (Benzoic acid, 4-methyl-, 1-pyrenylmethyl ester)
111077-41-9 structure
Product Name:Benzoic acid, 4-methyl-, 1-pyrenylmethyl ester
CAS No:111077-41-9
MF:C25H18O2
MW:350.409226894379
CID:1202767
PubChem ID:13740814
Update Time:2025-04-20
Benzoic acid, 4-methyl-, 1-pyrenylmethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methyl-, 1-pyrenylmethyl ester
- pyren-1-ylmethyl 4-methylbenzoate
- (PYREN-1-YL)METHYL 4-METHYLBENZOATE
- DTXSID20548136
- 111077-41-9
-
- Inchi: 1S/C25H18O2/c1-16-5-7-20(8-6-16)25(26)27-15-21-12-11-19-10-9-17-3-2-4-18-13-14-22(21)24(19)23(17)18/h2-14H,15H2,1H3
- InChI Key: UROPXYRZSYRKEO-UHFFFAOYSA-N
- SMILES: O(C(C1C=CC(C)=CC=1)=O)CC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C43
Computed Properties
- Exact Mass: 350.13074
- Monoisotopic Mass: 350.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
- Complexity: 534
- 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: 6.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 4-methyl-, 1-pyrenylmethyl ester Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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2. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
111077-41-9 (Benzoic acid, 4-methyl-, 1-pyrenylmethyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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