Cas no 144316-87-0 (1,3-Benzenediacetonitrile, 2-methoxy-)
144316-87-0 structure
Product Name:1,3-Benzenediacetonitrile, 2-methoxy-
CAS No:144316-87-0
MF:C11H10N2O
MW:186.20990228653
CID:1314322
PubChem ID:10352406
Update Time:2025-04-20
1,3-Benzenediacetonitrile, 2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenediacetonitrile, 2-methoxy-
- 2-[3-(cyanomethyl)-2-methoxyphenyl]acetonitrile
- DTXSID90438515
- SCHEMBL9080677
- AKOS006311248
- 144316-87-0
-
- Inchi： 1S/C11H10N2O/c1-14-11-9(5-7-12)3-2-4-10(11)6-8-13/h2-4H,5-6H2,1H3
- InChI Key： XREVKTNTUCDTGP-UHFFFAOYSA-N
- SMILES： O(C)C1C(CC#N)=CC=CC=1CC#N
Computed Properties
- Exact Mass: 186.0794
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 244
- 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: 1.2
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
1,3-Benzenediacetonitrile, 2-methoxy- Related Literature
-
M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
144316-87-0 (1,3-Benzenediacetonitrile, 2-methoxy-) Related Products
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