Cas no 548785-53-1 (Benzonitrile, 2-methoxy-5-(methoxymethyl)- (9CI))
548785-53-1 structure
Product Name:Benzonitrile, 2-methoxy-5-(methoxymethyl)- (9CI)
CAS No:548785-53-1
MF:C10H11NO2
MW:177.199842691422
CID:1023194
PubChem ID:22996251
Update Time:2025-04-20
Benzonitrile, 2-methoxy-5-(methoxymethyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2-methoxy-5-(methoxymethyl)- (9CI)
- AKOS013568600
- Benzonitrile, 2-methoxy-5-(methoxymethyl)-
- 548785-53-1
- 2-methoxy-5-methoxymethyl-benzonitrile
- SCHEMBL4696820
- XHCQUEOPEWQMBE-UHFFFAOYSA-N
- DB-325955
-
- Inchi： 1S/C10H11NO2/c1-12-7-8-3-4-10(13-2)9(5-8)6-11/h3-5H,7H2,1-2H3
- InChI Key： XHCQUEOPEWQMBE-UHFFFAOYSA-N
- SMILES： O(C)CC1C=CC(=C(C#N)C=1)OC
Computed Properties
- Exact Mass: 177.078978594g/mol
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 1.3
- Topological Polar Surface Area: 42.2?2
Benzonitrile, 2-methoxy-5-(methoxymethyl)- (9CI) Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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