Cas no 38425-80-8 (Benzenepentanenitrile, g-methyl-d-oxo-)
38425-80-8 structure
Product Name:Benzenepentanenitrile, g-methyl-d-oxo-
CAS No:38425-80-8
MF:C12H13NO
MW:187.237723112106
CID:321185
PubChem ID:15741639
Update Time:2025-04-19
Benzenepentanenitrile, g-methyl-d-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanenitrile, g-methyl-d-oxo-
- 4-methyl-5-oxo-5-phenylpentanenitrile
- 4-Benzoylvaleronitrile
- 4-Methyl-5-oxo-5-phenylvaleronitrile
- Valeronitrile,4-benzoyl- (6CI,7CI)
- Valeronitrile, 4-benzoyl-
- 38425-80-8
- Benzenepentanenitrile, gamma-methyl-delta-oxo-
- DTXSID40959326
-
- Inchi： 1S/C12H13NO/c1-10(6-5-9-13)12(14)11-7-3-2-4-8-11/h2-4,7-8,10H,5-6H2,1H3
- InChI Key： IMOJZELJZGDLMZ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C(C)CCC#N
Computed Properties
- Exact Mass: 187.099714038g/mol
- Monoisotopic Mass: 187.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 232
- 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: 2.2
- Topological Polar Surface Area: 40.9?2
Benzenepentanenitrile, g-methyl-d-oxo- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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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
38425-80-8 (Benzenepentanenitrile, g-methyl-d-oxo-) Related Products
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