| CAS Number | 10297-09-3 |
| Catalog Number | AG00866G(AGN-PC-0LPX3G) |
| Chemical Name | 7-Octynoic acid |
| IUPAC Name | oct-7-ynoic acid |
| InChI | InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h1H,3-7H2,(H,9,10) |
| InChI Key | WJBHDZBQZOMDFF-UHFFFAOYSA-N |
| MDL Number | MFCD19228078 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| SMILES | C#CCCCCCC(=O)O |
| Synonyms | 7-Octynoic acid,
oct-7-ynoic acid,
10297-09-3,
AC1NSNCT,
SCHEMBL736613,
CTK0G7298,
DTXSID50415584,
WJBHDZBQZOMDFF-UHFFFAOYSA-N,
LMFA01030578,
ZINC33822227,
AKOS006381246,
MCULE-4594227399,
NE48981,
DA-48264,
FT-0741685,
Z1642058355,
CID5312700,
FA(8:2),
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.182g/mol |
| Monoisotopic Mass | 140.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
\N
|
|
Hazard statements
|
H227-H302-H315-H319-H335
|
|
Packing Group
|
\N
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
\N
|
Certificate of Analysis
Lot Number