Cas no 154469-74-6 (2-Penten-1-one,2-chloro-1-phenyl-, (Z)- (9CI))
154469-74-6 structure
Product Name:2-Penten-1-one,2-chloro-1-phenyl-, (Z)- (9CI)
CAS No:154469-74-6
MF:C11H11ClO
MW:194.657442331314
CID:106584
PubChem ID:14974568
Update Time:2025-04-18
2-Penten-1-one,2-chloro-1-phenyl-, (Z)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Penten-1-one,2-chloro-1-phenyl-, (Z)- (9CI)
- (Z)-2-chloro-1-phenylpent-2-en-1-one
- (2Z)-2-Chloro-1-phenylpent-2-en-1-one
- 2-Penten-1-one, 2-chloro-1-phenyl-, (Z)- (9CI)
- DTXSID50566348
- 154469-74-6
-
- Inchi： 1S/C11H11ClO/c1-2-6-10(12)11(13)9-7-4-3-5-8-9/h3-8H,2H2,1H3/b10-6-
- InChI Key： IPXJAZBCJGEQBY-POHAHGRESA-N
- SMILES： Cl/C(=C\CC)/C(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 194.04993
- Monoisotopic Mass: 194.0498427g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 202
- 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: 3.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Penten-1-one,2-chloro-1-phenyl-, (Z)- (9CI) Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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