(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
Basic information
- CAS
23353-14-2- Standard SMILES
COc1ccc(-c2nc(CC(=O)O)cs2)cc1- InChIKey
HWRQFRXTBPYUEK-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
- Monoisotopic mass
- 249.04596439
Names & identifiers
- Preferred name
- (2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acid
- IUPAC
- 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
- English name
- 2-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
- Molecular formula
- C12H11NO3S
- Molecular weight
- 249.29
Names & synonyms
23353-14-2[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acidDTXSID40353320(2-(4-Methoxyphenyl)-1,3-thiazol-4-yl)acetic acidRefChem:1049638DTXCID503043832-(2-(4-Methoxyphenyl)thiazol-4-yl)acetic acid2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid4-thiazoleacetic acid, 2-(4-methoxyphenyl)-MFCD013169792-(4-methoxyphenyl)-4-Thiazoleacetic acid2-[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]-acetic acid
Show more names
8L-324SOTAVA-BB BB70203311992-(4-methoxyphenyl)thiazole-4-acetic acid2-(4-Methoxyphenyl)thiazole-4-aceticacid,97%2-[2-(4-methoxyphenyl)-4-thiazolyl]acetic acid2-(4-Methoxyphenyl)thiazole-4-acetic acid, 97%
2-[2-(4-methoxyphenyl)thiazol-4-yl]acetic acidMLS0005673892-(4-Methoxyphenyl)thiazol acetic acidOprea1_297504CHEMBL1580919SCHEMBL21032810HMS2279M14ALBB-015597
Database identifiers
- CAS
23353-14-2- PubChem CID
- 738083
- DTXSID
DTXSID40353320- ChEMBL
CHEMBL1580919
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 105 · 105-107°C
- form
- solid
- InChI
- 1S/C12H11NO3S/c1-16-10-4-2-8(3-5-10)12-13-9(7-17-12)6-11(14)15/h2-5,7H,6H2,1H3,(H,14,15)
- InChIKey
- HWRQFRXTBPYUEK-UHFFFAOYSA-N
- SMILES
- COc1ccc(cc1)-c2nc(CC(O)=O)cs2
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H302
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
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
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Suppliers
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Related reactions
1 records
Compound notes
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