Basic information
- CAS
106896-59-7- Standard SMILES
COC(=O)c1ccc2[nH]cc(C(C)=O)c2c1- InChIKey
LXTFSAFFYUCWCX-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- methyl 3-acetyl-1H-indole-5-carboxylate
- IUPAC
- methyl 3-acetyl-1H-indole-5-carboxylate
- English name
- 3-ACETYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTER
- Molecular formula
- C12H11NO3
- Molecular weight
- 217.22
Names & synonyms
methyl 3-acetyl-1H-indole-5-carboxylate106896-59-7F2190-06933-ACETYL-1H-INDOLE-5-CARBOXYLIC ACID METHYL ESTERSCHEMBL3931730LXTFSAFFYUCWCX-UHFFFAOYSA-NSMSSF-0533787methyl 3-acetyl-5-indolecarboxylateMethyl-3-acetylindole-5-carboxylateAKOS015965790methyl3-acetyl-1H-indole-5-carboxylateEN300-238271
Show more names
1H-Indole-5-carboxylic acid, 3-acetyl-, methyl ester
F496264
Database identifiers
- CAS
106896-59-7- PubChem CID
- 11629897
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 59.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
潍坊誉达医药科技有限公司17663603912 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
4 records
Compound notes
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