Cas no 56437-05-9 (Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxy-)
![Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxy- structure](https://ossimg.kuujia.com/scimg/56500/56437-05-9x500.png)
56437-05-9 structure
Product Name:Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxy-
CAS No:56437-05-9
MF:C10H9NO
MW:159.184562444687
CID:348856
PubChem ID:2753015
Update Time:2025-04-19
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxy-
- 3-methoxybicyclo[4.2.0]octa-1(6),2,4-triene-7-carbonitrile
- 3-methoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
- SCHEMBL3163095
- 4-methoxybenzocyclobutane-1-carbonitrile
- 56437-05-9
- AKOS004907888
- NWWZPEXREHUVKB-UHFFFAOYSA-N
- DTXSID30372949
-
- Inchi： 1S/C10H9NO/c1-12-9-2-3-10-7(5-9)4-8(10)6-11/h2-3,5,8H,4H2,1H3
- InChI Key： NWWZPEXREHUVKB-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2=C(C=1)CC2C#N
Computed Properties
- Exact Mass: 159.06847
- Monoisotopic Mass: 159.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 33?2
Experimental Properties
- Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
- Melting Point: 58-60 oC
- Solubility: Very slightly soluble (0.8 g/l) (25 o C),
- PSA: 33.02
Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile, 3-methoxy- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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