Cas no 518978-02-4 (methyl 2-(benzyloxy)-5-cyanobenzoate)
518978-02-4 structure
Product Name:methyl 2-(benzyloxy)-5-cyanobenzoate
CAS No:518978-02-4
MF:C16H13NO3
MW:267.279324293137
CID:2116451
PubChem ID:18973896
Update Time:2025-04-21
methyl 2-(benzyloxy)-5-cyanobenzoate Chemical and Physical Properties
Names and Identifiers
-
- methyl 2-(benzyloxy)-5-cyanobenzoate
- SCHEMBL1646681
- Methyl 5-cyano-2-[(phenylmethyl)oxy]benzoate
- DA-33129
- 518978-02-4
- XSLZLFFVVCBHGZ-UHFFFAOYSA-N
-
- Inchi： 1S/C16H13NO3/c1-19-16(18)14-9-13(10-17)7-8-15(14)20-11-12-5-3-2-4-6-12/h2-9H,11H2,1H3
- InChI Key： XSLZLFFVVCBHGZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1C(=O)OC)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 267.08954328Da
- Monoisotopic Mass: 267.08954328Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 367
- 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: 59.3?2
methyl 2-(benzyloxy)-5-cyanobenzoate Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
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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