| CAS Number | 1021244-66-5 |
| Catalog Number | AG019XD8(AGN-PC-0WO2BO) |
| Chemical Name | 1-(prop-2-en-1-yl)-1H-indole-3-carboxylic acid |
| IUPAC Name | 1-prop-2-enylindole-3-carboxylic acid |
| InChI | InChI=1S/C12H11NO2/c1-2-7-13-8-10(12(14)15)9-5-3-4-6-11(9)13/h2-6,8H,1,7H2,(H,14,15) |
| InChI Key | NBSNSQJYXCXGLK-UHFFFAOYSA-N |
| MDL Number | MFCD11155405 |
| Molecular Formula | C12H11NO2 |
| Molecular Weight | 201.2212 |
| SMILES | OC(C1C2=C(C=CC=C2)N(CC=C)C=1)=O |
| Synonyms | 1-(prop-2-en-1-yl)-1H-indole-3-carboxylic acid,
EN300-54703,
1021244-66-5,
AC1Q73WI,
SCHEMBL3721317,
CTK5J4756,
ZINC20074517,
AKOS000263035,
BBV-153630,
FCH5525453,
MCULE-8914793192,
NE49947,
AB01000704-01,
1-(Prop-2-en-1-yl)-1H-indole-3-carboxylic acid, AldrichCPR,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.225g/mol |
| Monoisotopic Mass | 201.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number