Cas no 909772-06-1 (2-CYANOBENZALDEHYDE OXIME)
2-CYANOBENZALDEHYDE OXIME structure
Product Name:2-CYANOBENZALDEHYDE OXIME
CAS No:909772-06-1
MF:C8H6N2O
MW:146.14604139328
CID:995277
PubChem ID:9570050
Update Time:2025-04-20
2-CYANOBENZALDEHYDE OXIME Chemical and Physical Properties
Names and Identifiers
-
- 2-CYANOBENZALDEHYDE OXIME
- 2-[(E)-hydroxyiminomethyl]benzonitrile
- 2-((Hydroxyimino)methyl)benzonitrile
- AKOS006280022
- NSC635960
- NSC-635960
- CHEMBL1970759
- 909772-06-1
-
- MDL： MFCD03412415
- Inchi： 1S/C8H6N2O/c9-5-7-3-1-2-4-8(7)6-10-11/h1-4,6,11H/b10-6+
- InChI Key： PBMACDJMJFWTQR-UXBLZVDNSA-N
- SMILES： O/N=C/C1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 146.04800
- Monoisotopic Mass: 146.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 56.4?2
Experimental Properties
- PSA: 56.38000
- LogP: 1.36638
2-CYANOBENZALDEHYDE OXIME Related Literature
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1. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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