| CAS Number | 1093452-52-8 |
| Catalog Number | AG003R08(AGN-PC-0WH1W4) |
| Chemical Name | Indole-3-carboxaldehyde-13C |
| IUPAC Name | 1H-indole-3-carbaldehyde |
| InChI | InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H/i6+1 |
| InChI Key | OLNJUISKUQQNIM-PTQBSOBMSA-N |
| MDL Number | MFCD19443430 |
| Molecular Formula | C9H7NO |
| Molecular Weight | 146.1506 |
| SMILES | [13CH](C1=CNC2=CC=CC=C12)=O |
| Synonyms | Indole-3-carboxaldehyde-13C,
1093452-52-8,
3-Formylindole-13C,
CTK8G0312,
2H-Indole-3-carboxaldehyde-13C,
DTXSID60675975,
1H-Indole-3-(~13~C)carbaldehyde,
FT-0670335,
J-002272,
1H-Indole-3-carbaldehyde,
1H-indole-3-carbaldehyde-13C,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 1 |
| Molecular Weight | 146.153g/mol |
| Monoisotopic Mass | 146.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 32.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number