| CAS Number | 887576-06-9 |
| Catalog Number | AG00IFFJ(AGN-PC-03SUV4) |
| Chemical Name | 3-formyl-1H-indole-6-carboxylic acid |
| IUPAC Name | 3-formyl-1H-indole-6-carboxylic acid |
| InChI | InChI=1S/C10H7NO3/c12-5-7-4-11-9-3-6(10(13)14)1-2-8(7)9/h1-5,11H,(H,13,14) |
| InChI Key | SZRGKSIBZRFCBG-UHFFFAOYSA-N |
| MDL Number | MFCD06656877 |
| Molecular Formula | C10H7NO3 |
| Molecular Weight | 189.1675 |
| SMILES | OC(C1=CC2=C(C(=CN2)C=O)C=C1)=O |
| Synonyms | 3-formyl-1H-indole-6-carboxylic acid,
887576-06-9,
1H-Indole-6-carboxylic acid, 3-formyl-,
3-formyl-indole-6-carboxylic acid,
SCHEMBL2219992,
SZRGKSIBZRFCBG-UHFFFAOYSA-N,
BBL030585,
CF-956,
MFCD06656877,
STL372971,
ZINC26423466,
AKOS005208133,
MCULE-6313956397,
3-FORMYLINDOLE-6-CARBOXYLIC ACID,
AS-47733,
CS-0055946,
3-Formyl-1H-indole-6-carboxylic acid, AldrichCPR,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.17g/mol |
| Monoisotopic Mass | 189.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number