Cas no 144686-75-9 (Cyclopropaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI))
144686-75-9 structure
Product Name:Cyclopropaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)
CAS No:144686-75-9
MF:C9H13NO
MW:151.205622434616
CID:108850
PubChem ID:21681627
Update Time:2025-04-18
Cyclopropaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopropaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)
- 144686-75-9
- Cyclopropaneacetonitrile, 3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI)
- 2-[(1R,3S)-3-acetyl-2,2-dimethylcyclopropyl]acetonitrile
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- Inchi： 1S/C9H13NO/c1-6(11)8-7(4-5-10)9(8,2)3/h7-8H,4H2,1-3H3/t7-,8+/m1/s1
- InChI Key： LWICIOXNAKBJDE-SFYZADRCSA-N
- SMILES： O=C(C)[C@H]1[C@@H](CC#N)C1(C)C
Computed Properties
- Exact Mass: 151.09979
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 233
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- PSA: 40.86
Cyclopropaneacetonitrile,3-acetyl-2,2-dimethyl-, (1R-cis)- (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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