Cas no 95561-65-2 (4-Pentenoic acid, 2-(triphenylphosphoranylidene)-, methyl ester)
95561-65-2 structure
Product Name:4-Pentenoic acid, 2-(triphenylphosphoranylidene)-, methyl ester
CAS No:95561-65-2
MF:C24H23O2P
MW:374.411987543106
CID:751769
PubChem ID:11057837
Update Time:2025-04-19
4-Pentenoic acid, 2-(triphenylphosphoranylidene)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentenoic acid, 2-(triphenylphosphoranylidene)-, methyl ester
- methyl 2-(triphenyl-λ<sup>5</sup>-phosphanylidene)pent-4-enoate
- SCHEMBL13719255
- DTXSID50453643
- 95561-65-2
-
- Inchi： 1S/C24H23O2P/c1-3-13-23(24(25)26-2)27(20-14-7-4-8-15-20,21-16-9-5-10-17-21)22-18-11-6-12-19-22/h3-12,14-19H,1,13H2,2H3
- InChI Key： NVUPEEZBGKIKFO-UHFFFAOYSA-N
- SMILES： P(C1C=CC=CC=1)(C1C=CC=CC=1)(C1C=CC=CC=1)=C(C(=O)OC)CC=C
Computed Properties
- Exact Mass: 374.14356697g/mol
- Monoisotopic Mass: 374.14356697g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 494
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.7
- Topological Polar Surface Area: 26.3?2
4-Pentenoic acid, 2-(triphenylphosphoranylidene)-, methyl ester Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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