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4-Pentynoic acid ethyl ester
| Catalog Number | ACM63093414 |
| CAS | 63093-41-4 |
| Structure |  |
| IUPAC Name | ethyl pent-4-ynoate |
| Synonyms | ethyl pent-4-ynoate;63093-41-4;4-Pentynoic acid ethyl ester;ethyl 4-pentynoate;4-Pentynoic acid, ethyl ester;MFCD18976214;SCHEMBL101402;pent-4-ynoic acid ethyl ester;DTXSID90212418;BCP33457;ZINC5855084;AKOS022623409;AS-43317;SY259554;DB-118094;Ethyl pent-4-ynoate;Ethyl 4-pentynoate;4-(Ethoxycarbonyl)-1-butyne |
| Molecular Weight | 126.15g/mol |
| Molecular Formula | C7H10O2 |
| Canonical SMILES | CCOC(=O)CCC#C |
| InChI | InChI=1S/C7H10O2/c1-3-5-6-7(8)9-4-2/h1H,4-6H2,2H3 |
| InChI Key | WXFVBLCWAIVAFN-UHFFFAOYSA-N |
| Complexity | 129 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 126.068079557g/mol |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Monoisotopic Mass | 126.068079557g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3Ų |
| X Log P3 | 1 |
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