Cas no 3510-99-4 (2-Butenoic acid,3-methoxy-, ethyl ester)
3510-99-4 structure
Product Name:2-Butenoic acid,3-methoxy-, ethyl ester
CAS No:3510-99-4
MF:C7H12O3
MW:144.168382644653
CID:307138
PubChem ID:6382292
Update Time:2025-04-19
2-Butenoic acid,3-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid,3-methoxy-, ethyl ester
- 3-methoxy-2-Butenoic acid, ethyl ester
- ethyl (2E)-3-methoxybut-2-enoate
- Ethyl 3-methoxy-2-butenoate
- ethyl 3-methoxybut-2-enoate
- NSC165534
- SCHEMBL9640847
- 3510-99-4
- EINECS 222-510-4
- NSC-165534
- 22157-27-3
-
- Inchi： 1S/C7H12O3/c1-4-10-7(8)5-6(2)9-3/h5H,4H2,1-3H3/b6-5+
- InChI Key： LAPXQIPANPGXCP-AATRIKPKSA-N
- SMILES： O(C(/C=C(\C)/OC)=O)CC
Computed Properties
- Exact Mass: 144.07866
- Monoisotopic Mass: 144.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 138
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.1
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 0.978
- Boiling Point: 188.6°Cat760mmHg
- Flash Point: 69.3°C
- Refractive Index: 1.427
- PSA: 35.53
2-Butenoic acid,3-methoxy-, ethyl ester Related Literature
-
1. Synthetic routes to the piperolides, fadyenolides, epoxypiperolides, and related compoundsAndrew Pelter,Redha I. H. Al-Bayati,Migdad T. Ayoub,Wynn Lewis,Pushpa Pardasani,Rudolf Hansel J. Chem. Soc. Perkin Trans. 1 1987 717
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