Cas no 645751-83-3 (2-Pentynoic acid, 4-(acetyloxy)-, ethyl ester, (4S)-)
645751-83-3 structure
Product Name:2-Pentynoic acid, 4-(acetyloxy)-, ethyl ester, (4S)-
CAS No:645751-83-3
MF:C9H12O4
MW:184.189183235168
CID:422698
PubChem ID:12070338
Update Time:2025-04-19
2-Pentynoic acid, 4-(acetyloxy)-, ethyl ester, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentynoic acid, 4-(acetyloxy)-, ethyl ester, (4S)-
- ethyl (4S)-4-acetyloxypent-2-ynoate
- 645751-83-3
- DTXSID60476949
-
- Inchi： 1S/C9H12O4/c1-4-12-9(11)6-5-7(2)13-8(3)10/h7H,4H2,1-3H3/t7-/m0/s1
- InChI Key： JYWFOAUTWODZBP-ZETCQYMHSA-N
- SMILES： O(C(C)=O)[C@H](C#CC(=O)OCC)C
Computed Properties
- Exact Mass: 184.07356
- Monoisotopic Mass: 184.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
2-Pentynoic acid, 4-(acetyloxy)-, ethyl ester, (4S)- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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