Cas no 33698-87-2 (3-Pentenoic acid, (3Z)-)
3-Pentenoic acid, (3Z)- structure
Product Name:3-Pentenoic acid, (3Z)-
CAS No:33698-87-2
MF:C5H8O2
MW:100.115821838379
CID:319073
PubChem ID:5463134
Update Time:2025-04-19
3-Pentenoic acid, (3Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentenoic acid, (3Z)-
- cis-Beta,gamma-penteneoic acid
- (Z)-pent-3-enoic acid
- pent-3-enoic acid
- C5:1, n-2 cis
- (3Z)-pent-3-enoic acid
- 33698-87-2
- cis-pent-3-enoic acid
- Q27117618
- SCHEMBL360177
- (Z)-CH3CH=CHCH2COOH
- DTXSID401314880
- Z-3-Pentensaeure
- LMFA01031005
- cis-3-pentenoic acid
- (Z)-3-pentenoic acid
- cis-Pent-3-ensaeure
- CHEBI:38369
- (3Z)-3-Pentenoic acid
- A848882
-
- Inchi： 1S/C5H8O2/c1-2-3-4-5(6)7/h2-3H,4H2,1H3,(H,6,7)/b3-2-
- InChI Key： UIUWNILCHFBLEQ-IHWYPQMZSA-N
- SMILES： OC(C/C=C\C)=O
Computed Properties
- Exact Mass: 100.05244
- Monoisotopic Mass: 100.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 84.1
- 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
- Topological Polar Surface Area: 37.3A^2
- XLogP3: 0.8
Experimental Properties
- Density: 0.9776 (rough estimate)
- Melting Point: 20.44°C (estimate)
- Boiling Point: 194.4°C (estimate)
- Flash Point: 89.5°C
- Refractive Index: 1.4222 (estimate)
- PSA: 37.3
- LogP: 1.03720
3-Pentenoic acid, (3Z)- Related Literature
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Xinyi Liu,Huan Chen,Jing Lin,Yi Li,Liangqia Guo Chem. Commun., 2019,55, 2972-2975
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Lianqin Wang,Rachida Bance-Soualhi,Julia Ponce-González,Pilar Ocón,Edson A. Ticianelli,Daniel K. Whelligan,John R. Varcoe J. Mater. Chem. A, 2018,6, 24330-24341
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
33698-87-2 (3-Pentenoic acid, (3Z)-) Related Products
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