| CAS Number | 880360-85-0 |
| Catalog Number | AG00IEUX(AGN-PC-00DPQ6) |
| Chemical Name | 1H-Indole-5-carboxylic acid, 2-formyl-, methyl ester |
| IUPAC Name | methyl 2-formyl-1H-indole-5-carboxylate |
| InChI | InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-10-8(4-7)5-9(6-13)12-10/h2-6,12H,1H3 |
| InChI Key | GFVQAIHYBTWVEN-UHFFFAOYSA-N |
| MDL Number | MFCD20528190 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | O=C(C1=CC2=C(NC(C=O)=C2)C=C1)OC |
| Synonyms | Methyl 2-formyl-1H-indole-5-carboxylate,
880360-85-0,
2-Formyl-1H-indole-5-carboxylic acid methyl ester,
SCHEMBL5793342,
GFVQAIHYBTWVEN-UHFFFAOYSA-N,
KS-00000TP1,
MFCD20528190,
ZINC38212738,
AK544120,
DS-19286,
CS-0062133,
1H-Indole-5-carboxylic acid, 2-formyl-, methyl ester,
CID11665602,
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| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number