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 |