Basic information
- CAS
101601-00-7- Standard SMILES
O=C(O)C(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12- InChIKey
OLSKVXZVSAPWRO-UHFFFAOYSA-N- Molecular formula
- C17H13NO4
- Average molar mass
- 295.29 g/mol
Names & identifiers
- Preferred name
- 5-Benzyloxyindole 3-Glyoxylic Acid
- IUPAC
- 2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
- English name
- 2-[5-(Benzyloxy)-1H-indol-3-yl]-2-oxoacetic acid ,97%
- Molecular formula
- C17H13NO4
- Molecular weight
- 295
Names & synonyms
101601-00-75-Benzyloxyindole 3-Glyoxylic Acid2-oxo-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acidMFCD112154482-[5-(Benzyloxy)-3-indolyl]-2-oxoacetic Acid2-[5-(BENZYLOXY)-1H-INDOL-3-YL]-2-OXOACETIC ACID1H-Indole-3-acetic acid, a-oxo-5-(phenylmethoxy)-2-(5-(benzyloxy)-1H-indol-3-yl)-2-oxoacetic acid2-(5-benzyloxy-1H-indol-3-yl)-2-oxo-acetic acid[5-(benzyloxy)-1H-indol-3-yl](oxo)acetic acidCHEMBL6152311SCHEMBL11602121
Show more names
1H-Indole-3-acetic acid, α-oxo-5-(phenylmethoxy)-2-[5-(Benzyloxy)-1H-indol-3-yl]-2-oxoacetic acid ,97%
5-Benzyloxyindole3-GlyoxylicAcidAKOS0235182115-benzyloxyindole-3acetic acid hydrazide;AS-77824SY058565DB-364496CS-0442561A10644
Database identifiers
- CAS
101601-00-7- ChEMBL
CHEMBL6152311- Nikkaji
- J2.026.037H
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Melting point
- 249 · 249-251 °C (decomp)(Solv: ethanol (64-17-5))
- Boiling point
- 532.4 · 532.4±48.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.54(Predicted)
- Risk Statements
- 20 · 20/21/22-37/38-48
- Safety Statements
- 7 · 7/8-22-26-36/37/39-45
- HS Code
- 29339900 · 29339900
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
- hs_code
- 29339900
- risk_code
- 20/21/22-37/38-48
- safety_code
- 7/8-22-26-36/37/39-45
Chemistry & industry
Applications
Uses5-Benzyloxyindole 3-Glyoxylic Acid is a derivative of 5-Benzyloxyindole (B285949) and is used as a reagent in the synthesis of indole-3-acetic acids.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Henan Allgreen Chemical Co.,LTD+86-37155567971 +86-13633837469 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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