| CAS Number | 5526-13-6 |
| Catalog Number | AG00DBNT(AGN-PC-0SIW5O) |
| Chemical Name | 7-Acetoxyindole |
| IUPAC Name | 1H-indol-7-yl acetate |
| InChI | InChI=1S/C10H9NO2/c1-7(12)13-9-4-2-3-8-5-6-11-10(8)9/h2-6,11H,1H3 |
| InChI Key | LLGBZZJOICJSAL-UHFFFAOYSA-N |
| MDL Number | MFCD00151953 |
| Molecular Formula | C10H9NO2 |
| Molecular Weight | 175.1840 |
| SMILES | O=C(OC1=CC=CC2=C1NC=C2)C |
| Synonyms | 7-ACETOXYINDOLE,
5526-13-6,
1H-INDOL-7-YL ACETATE,
AK187128,
Q-102561,
MFCD00151953,
1H-Indol-7-ol, 7-acetate,
DTXSID80547044,
CA-631,
FCH839849,
ZINC35635686,
AKOS006272442,
AC-27777,
DS-10101,
AB0009808,
C-1158,
C10H9NO2,
1H-indol-7-yl acetate, 95% - 1G 1g,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.187g/mol |
| Monoisotopic Mass | 175.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H317
|
|
Packing Group
|
|
|
Precautionary statements
|
P280
|
|
UN Code
|
|
Certificate of Analysis
Lot Number