| CAS Number | 27748-08-9 |
| Catalog Number | AG002UN5(AGN-PC-03NT4T) |
| Chemical Name | Methyl 4-hydroxy-1H-indole-2-carboxylate |
| IUPAC Name | methyl 4-hydroxy-1H-indole-2-carboxylate |
| InChI | InChI=1S/C10H9NO3/c1-14-10(13)8-5-6-7(11-8)3-2-4-9(6)12/h2-5,11-12H,1H3 |
| InChI Key | YAODSTOIAVANEI-UHFFFAOYSA-N |
| MDL Number | MFCD16631786 |
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.1834 |
| SMILES | COC(C1NC2=C(C(=CC=C2)O)C=1)=O |
| Synonyms | METHYL 4-HYDROXY-1H-INDOLE-2-CARBOXYLATE,
27748-08-9,
4-Hydroxy-1H-indole-2-carboxylic acid methyl ester,
Methyl 4-hydroxyindole-2-carboxylate,
SCHEMBL915460,
1H-Indole-2-carboxylic acid, 4-hydroxy-, methyl ester,
CTK4G0208,
DTXSID30624612,
YAODSTOIAVANEI-UHFFFAOYSA-N,
Methyl 4-hydroxyindole-2carboxylate,
Methyl 4Hydroxyindole-2-carboxylate,
ZINC31772033,
AKOS006334212,
MCULE-1576539885,
AJ-84316,
L-4217,
748M089,
F2158-0634,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.186g/mol |
| Monoisotopic Mass | 191.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 62.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number