| CAS Number | 1094303-82-8 |
| Catalog Number | AG00J5U3(AGN-PC-0WCA9A) |
| Chemical Name | 1-propanoyl-2,3-dihydro-1H-indole-5-carboxylic acid |
| IUPAC Name | 1-propanoyl-2,3-dihydroindole-5-carboxylic acid |
| InChI | InChI=1S/C12H13NO3/c1-2-11(14)13-6-5-8-7-9(12(15)16)3-4-10(8)13/h3-4,7H,2,5-6H2,1H3,(H,15,16) |
| InChI Key | OBPPDXQBSPJLET-UHFFFAOYSA-N |
| MDL Number | MFCD11177687 |
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.2365 |
| SMILES | CCC(N1C2=C(C=C(C(O)=O)C=C2)CC1)=O |
| Synonyms | 1-Propionylindoline-5-carboxylic acid,
1-propanoyl-2,3-dihydro-1H-indole-5-carboxylic acid,
1094303-82-8,
AC1Q2RQ7,
CTK6C6652,
ALBB-020620,
MFCD11177687,
ZINC36378530,
AKOS004911070,
MCULE-2528607389,
NE47144,
EN300-44824,
1H-indole-5-carboxylic acid, 2,3-dihydro-1-(1-oxopropyl)-,
1-propanoyl-2,3-dihydroindole-5-carboxylic acid,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.24g/mol |
| Monoisotopic Mass | 219.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number