| CAS Number | 104086-73-9 |
| Catalog Number | AG01DZFC(AGN-PC-0NVNZ0) |
| Chemical Name | Z-3-Dodecenyl E-2-butenoate |
| IUPAC Name | [(E)-dodec-3-enyl] (Z)-but-2-enoate |
| InChI | InChI=1S/C16H28O2/c1-3-5-6-7-8-9-10-11-12-13-15-18-16(17)14-4-2/h4,11-12,14H,3,5-10,13,15H2,1-2H3/b12-11+,14-4- |
| InChI Key | VPVYOJQBLAZGEP-FJAAXBCVSA-N |
| MDL Number | MFCD09743042 |
| Molecular Formula | C16H28O2 |
| Molecular Weight | 252.3923 |
| SMILES | C(C/C=CCCCCCCCC)OC(=O)/C=C/C |
| Synonyms | Z-3-Dodecenyl E-crotonate,
104086-73-9,
Z-3-Dodecenyl E-2-butenoate,
(Z)-3-Dodecen-1-yl (E)-2-butenoate,
2-Butenoic acid, 3-dodecenyl ester, (E,Z)-,
AC1O5Z3O,
2-Butenoic acid, (3Z)-3-dodecenyl ester, (2E)-,
[(E)-dodec-3-enyl] (Z)-but-2-enoate,
C16-H28-O2,
CID6443500,
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| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Exact Mass | 252.209g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.398g/mol |
| Monoisotopic Mass | 252.209g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number