Cas no 96802-39-0 ([1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI))
96802-39-0 structure
Product Name:[1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI)
CAS No:96802-39-0
MF:C13H9NO2
MW:211.216063261032
CID:1002047
PubChem ID:45116845
Update Time:2025-04-20
[1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI) Chemical and Physical Properties
Names and Identifiers
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- [1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI)
- 2,4-dihydroxy-5-phenylbenzonitrile
- 96802-39-0
- [1,1-biphenyl]-3-carbonitrile,4,6-dihydroxy-
- [1,1-BIPHENYL]-3-CARBONITRILE, 4,6-DIHYDROXY-
- DB-322206
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- Inchi: 1S/C13H9NO2/c14-8-10-6-11(13(16)7-12(10)15)9-4-2-1-3-5-9/h1-7,15-16H
- InChI Key: WPTWITLAXPCMCO-UHFFFAOYSA-N
- SMILES: OC1C=C(C(C#N)=CC=1C1C=CC=CC=1)O
Computed Properties
- Exact Mass: 211.063328530g/mol
- Monoisotopic Mass: 211.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 277
- 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: 3.1
- Topological Polar Surface Area: 64.2?2
[1,1-Biphenyl]-3-carbonitrile,4,6-dihydroxy-(9CI) Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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