Cas no 149505-48-6 (4'-hydroxy-2-methylbiphenyl-4-carbonitrile)
149505-48-6 structure
Product Name:4'-hydroxy-2-methylbiphenyl-4-carbonitrile
CAS No:149505-48-6
MF:C14H11NO
MW:209.243243455887
CID:1321469
PubChem ID:22274632
Update Time:2025-04-20
4'-hydroxy-2-methylbiphenyl-4-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4'-hydroxy-2-methylbiphenyl-4-carbonitrile
- LogP
- SCHEMBL2786090
- DB-063812
- 4'-hydroxy-2-methyl-[1,1'-Biphenyl]-4-carbonitrile
- 149505-48-6
- 4'-hydroxy-2-methyl-1,1'-biphenyl-4-carbonitrile
- KVBAHALKLZAEMT-UHFFFAOYSA-N
- 4'-Hydroxy-2-methyl-biphenyl-4-carbonitrile
-
- Inchi： 1S/C14H11NO/c1-10-8-11(9-15)2-7-14(10)12-3-5-13(16)6-4-12/h2-8,16H,1H3
- InChI Key： KVBAHALKLZAEMT-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C1C=CC(C#N)=CC=1C
Computed Properties
- Exact Mass: 209.08413
- Monoisotopic Mass: 209.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 272
- 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
- Topological Polar Surface Area: 44A^2
- XLogP3: 3.3
Experimental Properties
- Density: 1.207
- Boiling Point: 377.843°C at 760 mmHg
- Flash Point: 182.313°C
- Refractive Index: 1.637
- PSA: 44.02
4'-hydroxy-2-methylbiphenyl-4-carbonitrile Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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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
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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