Basic information
- CAS
51584-18-0- Standard SMILES
Cn1cc(C(=O)C(=O)O)c2ccccc21- InChIKey
UJQAQVXJQOQUEK-UHFFFAOYSA-N- Molecular formula
- C11H9NO3
- Average molar mass
- 203.19 g/mol
- Monoisotopic mass
- 203.05824315
Names & identifiers
- Preferred name
- N-Methyl-3-indoleglyoxylic acid
- IUPAC
- 2-(1-methylindol-3-yl)-2-oxoacetic acid
- English name
- N-Methyl-3-indoleglyoxylic acid 97
- Molecular formula
- C11H9NO3
- Molecular weight
- 203.19
Names & synonyms
51584-18-0N-Methyl-3-indoleglyoxylic acidDTXSID00404600RefChem:364459DTXCID30355454621-655-42-(1-methyl-1h-indol-3-yl)-2-oxoacetic acid2-(1-methylindol-3-yl)-2-oxoacetic acidMFCD02683552N-METHYL-3-INDOLEGLYOXYLIC ACID 97N-METHYL-3-INDOLEGLYOXYLIC ACID 972-(1-methylindol-3-yl)-2-oxo-acetic Acid
Show more names
1H-Indole-3-acetic acid, 1-methyl-α-oxo-
1-methylindole-3glyoxylic acidSCHEMBL15589561-methyl-3-indolylglyoxylic acidUJQAQVXJQOQUEK-UHFFFAOYSA-NN-methylindol-3-yl-glyoxylic acidBCA58418AKOS015850789AS-62433
Database identifiers
- CAS
51584-18-0- PubChem CID
- 4589028
- DTXSID
DTXSID00404600- EC Number
- 621-655-4
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 157 · 157-162 °C(lit.)
- storage temp.
- Store at room temperature
- Appearance
- Light yellow to yellow Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-36/37/39-45
- RIDADR
- 1759 · UN 1759 8/PG 2
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (97.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.5%)
Safety data
- wgk
- 3
- ridadr
- UN 1759 8/PG 2
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-36/37/39-45
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers22 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海珈得尔化学技术有限公司13564435016 13564435016 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
苏州爱玛特生物科技有限公司
Related reactions
12 records
Compound notes
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