| CAS Number | 38996-01-9 |
| Catalog Number | AG00D3W8(AGN-PC-004KXJ) |
| Chemical Name | Ethyl 3-hydroxypent-4-enoate |
| IUPAC Name | ethyl 3-hydroxypent-4-enoate |
| InChI | InChI=1S/C7H12O3/c1-3-6(8)5-7(9)10-4-2/h3,6,8H,1,4-5H2,2H3 |
| InChI Key | QTFCTAJBDSTPSR-UHFFFAOYSA-N |
| MDL Number | MFCD17010111 |
| Molecular Formula | C7H12O3 |
| Molecular Weight | 144.1684 |
| SMILES | CCOC(CC(C=C)O)=O |
| Synonyms | 38996-01-9,
ethyl 3-hydroxypent-4-enoate,
4-Pentenoic acid, 3-hydroxy-, ethyl ester,
Ethyl 3-hydroxy-4-pentenoate,
3-Hydroxy-4-pentenoic acid ethyl ester,
3-hydroxy-pent-4-enoic acid ethyl ester,
AC1LC0A3,
SCHEMBL6118705,
Ethyl 3-hydroxy-4-pentenoate #,
QTFCTAJBDSTPSR-UHFFFAOYSA-N,
MFCD17010111,
AKOS014320775,
MB69298,
SY075426,
MFCD17010111 (95%),
CID545575,
3-Hydroxy-pent-4-enoic acid ethyl ester - 1G 1g,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.17g/mol |
| Monoisotopic Mass | 144.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number