(4-Methoxyphenyl)(phenyl)acetic acid
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Basic information
- CAS
21749-83-7- Standard SMILES
COc1ccc(C(C(=O)O)c2ccccc2)cc1- InChIKey
LLILURMTCOXPIU-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- (4-Methoxyphenyl)(phenyl)acetic acid
- IUPAC
- 2-(4-methoxyphenyl)-2-phenylacetic acid
- English name
- 2-(4-METHOXYPHENYL)-2-PHENYLACETIC ACID
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
(4-Methoxyphenyl)(phenyl)acetic acidRefChem:402953691-629-52-(4-Methoxyphenyl)-2-phenylacetic acid21749-83-7Benzeneacetic acid,4-methoxy-alpha-phenyl-MFCD000940732-(4-Methoxyphenyl)-2-phenylaceticacidalpha-(4-Methoxyphenyl)phenylacetic acid2-(4-methoxyphenyl)-2-phenyl-acetic AcidSCHEMBL1716394DTXSID00396011
Show more names
Benzeneacetic acid, 4-methoxy-α-phenyl-(4-Methoxyphenyl)(phenyl)acetic acid 99%
AR3863SBB099575AKOS005069644DB-045683CS-0172579F30661512T-02442-(4-methoxyphenyl)-2-phenylacetic acid, AldrichCPR
Database identifiers
- CAS
21749-83-7- PubChem CID
- 3757932
- DTXSID
DTXSID00396011- EC Number
- 691-629-5
- Nikkaji
- J1.402.319D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 104 · 104-108°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- Xi,N,T
- Risk Statements
- 25 · 25-50
- Safety Statements
- 45 · 45-61
- HazardClass
- IRRITANT
- 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.
GHS classification
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- hs_code
- 2918999090
- risk_code
- 25-50
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,N,T
- safety_code
- 45-61
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P280-P305+P351+P338-P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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