Cas no 50690-52-3 (BENZENEACETONITRILE, 4-PROPOXY-)
50690-52-3 structure
Product Name:BENZENEACETONITRILE, 4-PROPOXY-
CAS No:50690-52-3
MF:C11H13NO
MW:175.227022886276
CID:3370946
PubChem ID:15556138
Update Time:2025-04-21
BENZENEACETONITRILE, 4-PROPOXY- Chemical and Physical Properties
Names and Identifiers
-
- BENZENEACETONITRILE, 4-PROPOXY-
- 2-(4-propoxyphenyl)acetonitrile
- SCHEMBL7774589
- AKOS000166950
- 50690-52-3
- 993-295-9
-
- Inchi： 1S/C11H13NO/c1-2-9-13-11-5-3-10(4-6-11)7-8-12/h3-6H,2,7,9H2,1H3
- InChI Key： GHTRHWRFHUGGOI-UHFFFAOYSA-N
- SMILES： C1(CC#N)=CC=C(OCCC)C=C1
Computed Properties
- Exact Mass: 175.099714038Da
- Monoisotopic Mass: 175.099714038Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 174
- 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: 2.4
- Topological Polar Surface Area: 33?2
BENZENEACETONITRILE, 4-PROPOXY- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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