2-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)acetic acid
Basic information
- CAS
959584-25-9- Standard SMILES
COc1ccc(-c2ccn(CC(=O)O)n2)cc1- InChIKey
HRGBMNMEZRJNAK-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 2-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)acetic acid
- IUPAC
- 2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetic acid
- English name
- 2-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)acetic acid
- Molecular formula
- C12H12N2O3
- Molecular weight
- 232.24
Names & synonyms
959584-25-92-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)acetic acid[3-(4-methoxyphenyl)-1H-pyrazol-1-yl]acetic acid2-[3-(4-methoxyphenyl)pyrazol-1-yl]acetic AcidMFCD006658602-(3-(4-Methoxyphenyl)-1H-pyrazol-1-yl)aceticacid2-[3-(4-Methoxyphenyl)-1H-Pyrazol-1-Yl]Acetic Acid2-[3-(4-methoxyphenyl)pyrazolyl]acetic acid[3-(4-methoxyphenyl)pyrazol-1-yl]acetic acid3-(4-METHOXYPHENYL)-1H-PYRAZOL-1-YLACETIC ACIDDTXSID60371586HRGBMNMEZRJNAK-UHFFFAOYSA-N
Show more names
2-[3-(4-methoxyphenyl)-1-pyrazolyl]acetic acid1H-Pyrazole-1-acetic acid, 3-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]ethanoic acid1-(Carboxymethyl)-3-(4-methoxyphenyl)-1H-pyrazole, 4-[1-(Carboxymethyl)-1H-pyrazol-3-yl]anisole
ALBB-005400SBB019475STK503389AKOS005171581PS-4867DB-329196ST4148097CS-0312669
Database identifiers
- CAS
959584-25-9- PubChem CID
- 2736767
- DTXSID
DTXSID60371586
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Boiling point
- 444.2 · 444.2±35.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 3.61 · 3.61±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2918999090 · 2918999090
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
- 2918999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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