Basic information
- CAS
83696-90-6- Standard SMILES
COc1ccc2[nH]cc(CCCC(=O)O)c2c1- InChIKey
CIYTWRCWBDXUQU-UHFFFAOYSA-N- Molecular formula
- C13H15NO3
- Average molar mass
- 233.26 g/mol
- Monoisotopic mass
- 233.10519334
Names & identifiers
- Preferred name
- 5-Methoxyindole-3-butyric acid
- IUPAC
- 4-(5-methoxy-1H-indol-3-yl)butanoic acid
- English name
- 4-(5-Methoxy-1H-indol-3-yl)-butyric acid
- Molecular formula
- C13H15NO3
- Molecular weight
- 233.26
Names & synonyms
5-Methoxyindole-3-butyric acid83696-90-6DTXSID10459843RefChem:303846DTXCID204106624-(5-methoxy-1H-indol-3-yl)butanoic AcidMFCD038398454-(5-Methoxy-1H-indol-3-yl)butanoicacid1H-Indole-3-butanoic acid, 5-methoxy-4-(5-Methoxy-1H-indol-3-yl)-butyric acidSCHEMBL6952853CIYTWRCWBDXUQU-UHFFFAOYSA-N
Show more names
REF DUPL: 5-Methoxyindole-3-butyric acid5-Methoxyindole-3-butyric acid, CAS 83696-90-6
AKOS0158984204-(5-methoxyindol-3-yl)butanoic acidAC-6741AS-35382CS-0172651F040807
Database identifiers
- CAS
83696-90-6- PubChem CID
- 11241777
- DTXSID
DTXSID10459843
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 458.9 · 458.9±30.0 °C(Predicted)
- Density
- 1.251 · 1.251±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.77 · 4.77±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers14 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
成都赛诺宁科技有限公司28-87999436 02887999436 · [email protected]
迈奇化学股份有限公司15660870300 15737400781 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
湖南秉航新材料有限公司0731-85567275 19313119732 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
10 records
Compound notes
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