Basic information
- CAS
679797-46-7- Standard SMILES
CCOC(=O)c1cc(C)n(CC(=O)O)c1C- InChIKey
FEPDGYZIZNYFGD-UHFFFAOYSA-N- Molecular formula
- C11H15NO4
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.10010796
Names & identifiers
- Preferred name
- [3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acid
- IUPAC
- 2-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid
- English name
- [3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acid
- Molecular formula
- C11H15NO4
- Molecular weight
- 225.24
Names & synonyms
679797-46-7[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acid[3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]-acetic acid2-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)acetic acid2-[3-(ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl]acetic acidMFCD073393572-(3-ethoxycarbonyl-2,5-dimethylpyrrol-1-yl)acetic acid2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)acetic AcidHMS1741B15ALBB-006814AKOS000118358SB63413
Show more names
2-(3-carbethoxy-2,5-dimethyl-pyrrol-1-yl)acetic acid2-(3-ethoxycarbonyl-2,5-dimethyl-1-pyrrolyl)acetic acid1H-Pyrrole-1-acetic acid, 3-(ethoxycarbonyl)-2,5-dimethyl-2-(3-ethoxycarbonyl-2,5-dimethyl-pyrrol-1-yl)ethanoic acid
LS-02454CS-0234564EN300-14332G54798F366862Z996004722-(3-(Ethoxycarbonyl)-2,5-dimethyl-1H-pyrrol-1-yl)aceticacid
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
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_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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