Basic information
- CAS
59292-36-3- Standard SMILES
CCOC(=O)c1c[nH]c2ccc(OC)cc12- InChIKey
JCFBDEMCPUONPI-UHFFFAOYSA-N- Molecular formula
- C12H13NO3
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.08954328
Names & identifiers
- Preferred name
- Ethyl 5-methoxy-1H-indole-3-carboxylate
- IUPAC
- ethyl 5-methoxy-1H-indole-3-carboxylate
- English name
- RARECHEM AL BI 0096
- Molecular formula
- C12H13NO3
- Molecular weight
- 219.24
Names & synonyms
ethyl 5-methoxy-1H-indole-3-carboxylate59292-36-3DTXSID30648252RefChem:344386DTXCID20599002Ethyl 5-Methoxyindole-3-carboxylate5-methoxyl-3-indoleethyl formateMFCD06204308Ethyl5-Methoxyindole-3-carboxylate5-methoxyindole-3-carboxylic acid ethyl ester5-methoxy-1H-indole-3-carboxylic acid ethyl esterEthyl5-methoxy-1H-indole-3-carboxylate
Show more names
RARECHEM AL BI 00965-Methoxyl-3-indoleethylforMate1H-INDOLE-3-CARBOXYLIC ACID,5-METHOXY-,ETHYL ESTER
5-methoxy-3-carbethoxyindoleSCHEMBL2866771CHEMBL4566809SCHEMBL31451717JCFBDEMCPUONPI-UHFFFAOYSA-NAC6423SY058829CS-0361595
Database identifiers
- CAS
59292-36-3- PubChem CID
- 24975615
- DTXSID
DTXSID30648252- ChEMBL
CHEMBL4566809- Nikkaji
- J2.341.010I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 97 °C · 97 °C
- Boiling point
- 380.205 · 380.205±22.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.216 · 1.216
- storage temp.
- 2 · 2-8°C
- pka
- 15.122 · 15.122±0.30(predicted)
Chemistry & industry
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
常州布克化工有限公司13606129753 13775119556 · [email protected]
苏州启航生物科技有限公司18151111370
无锡中坤生化科技有限公司+86 0510-85629785
雷丁试剂0510-85629785 18013409632 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
天津福瑞凯科技有限公司15602163079 · [email protected]
上海相辉医药科技有限公司[email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
南京克罗托鲁宁医药科技有限公司13382066392
郑州艾克姆化工有限公司0371-63315541 13323832564 · [email protected]
Related reactions
1 records
Compound notes
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