Cas no 36288-23-0 (3-chrysenecarbonitrile)
3-chrysenecarbonitrile structure
Product Name:3-chrysenecarbonitrile
CAS No:36288-23-0
MF:C19H11N
MW:253.297344446182
CID:1473440
PubChem ID:12443935
Update Time:2025-04-20
3-chrysenecarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-chrysenecarbonitrile
- Chrysene-3-carbonitrile
- LogP
- chrysene-1-carbonitrile
- 68723-52-4
- DTXSID80498481
- 36288-23-0
- HS-3193
- 1-Chrysenecarbonitrile
-
- Inchi： 1S/C19H11N/c20-12-14-5-3-7-17-16(14)10-11-18-15-6-2-1-4-13(15)8-9-19(17)18/h1-11H
- InChI Key： SJXMJONNWFLQQN-UHFFFAOYSA-N
- SMILES： N#CC1=CC=CC2C1=CC=C1C3C=CC=CC=3C=CC1=2
Computed Properties
- Exact Mass: 253.08923
- Monoisotopic Mass: 253.089149355g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 405
- 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: 5.4
- Topological Polar Surface Area: 23.8?2
Experimental Properties
- PSA: 23.79
3-chrysenecarbonitrile Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
36288-23-0 (3-chrysenecarbonitrile) Related Products
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