Cas no 27829-70-5 (3-Pentenoic acid, ethylester, (3Z)-)
27829-70-5 structure
Product Name:3-Pentenoic acid, ethylester, (3Z)-
CAS No:27829-70-5
MF:C7H12O2
MW:128.168982505798
CID:256487
PubChem ID:5463078
Update Time:2025-04-19
3-Pentenoic acid, ethylester, (3Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pentenoic acid, ethylester, (3Z)-
- ethyl (Z)-3-pentenoate
- AKOS006279436
- (E)-pent-3-enoic acid ethyl ester
- 27829-70-5
- 1617-05-6
- ethyl (E)-pent-3-enoate
- 3724-66-1
- ETHYL PENT-3-ENOATE
- SCHEMBL1203424
- (E)-3-Pentenoic acid ethyl ester
- ethyl 3-pentenoate
- ethyl (3E)-3-pentenoate
- (Z)-3-Pentenoic acid ethyl ester
- DTXSID001314052
-
- Inchi: 1S/C7H12O2/c1-3-5-6-7(8)9-4-2/h3,5H,4,6H2,1-2H3/b5-3+
- InChI Key: UMLQAWUDAFCGGS-HWKANZROSA-N
- SMILES: O(C(C/C=C/C)=O)CC
Computed Properties
- Exact Mass: 128.08376
- Monoisotopic Mass: 128.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 4
- Complexity: 106
- 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: 26.3A^2
- XLogP3: 1.5
Experimental Properties
- Density: 0.907
- Boiling Point: 145.8°C at 760 mmHg
- Flash Point: 55.7°C
- Refractive Index: 1.427
- PSA: 26.3
3-Pentenoic acid, ethylester, (3Z)- Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
27829-70-5 (3-Pentenoic acid, ethylester, (3Z)-) Related Products
- 64187-83-3(3-Hexenoic acid, ethylester, (3Z)-)
- 33467-74-2((Z)-Hex-3-en-1-yl propionate)
- 20515-19-9(Methyl (E)-3-pentenoate)
- 13894-61-6(3-Hexenoic acid, methyl ester)
- 6849-18-9(3-Pentenoic acid,4-methyl-, ethyl ester)
- 2396-83-0(Ethyl hex-3-enoate)
- 2396-78-3(Methyl hex-3-enoate)
- 1617-18-1(But-3-enoic acid ethyl ester)
- 26553-46-8(3-Hexenoic acid, ethylester, (3E)-)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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