Basic information
- CAS
5487-33-2- Standard SMILES
COc1ccc(CC(=O)O)cc1OCc1ccccc1- InChIKey
WXWWJUKMWNYILA-UHFFFAOYSA-N- Molecular formula
- C16H16O4
- Average molar mass
- 272.29 g/mol
- Monoisotopic mass
- 272.10485899
Overview
See also: (3-Benzyloxy-4-methoxy-phenyl)-acetic acid (annotation moved to).
Names & identifiers
- Preferred name
- 2-(3-(Benzyloxy)-4-methoxyphenyl)acetic acid
- IUPAC
- 2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid
- English name
- 3-(Benzyloxy)-4-Methoxyphenylacetic Acid
- Molecular formula
- C16H16O4
- Molecular weight
- 272.3
Names & synonyms
5487-33-22-(3-(BENZYLOXY)-4-METHOXYPHENYL)ACETIC ACID2-[3-(benzyloxy)-4-methoxyphenyl]acetic acid2-(4-methoxy-3-phenylmethoxyphenyl)acetic acid[3-(benzyloxy)-4-methoxyphenyl]acetic acidMFCD00183334BENZENEACETIC.ACID,4-METHOXY-3-(PHENYLMETHOXY)-3-(Benzyloxy)-4-methoxyphenylacetic AcidNSC131754SCHEMBL2391945DTXSID50299649AC6337
Show more names
NSC 131754(3-Benzyloxy-4-methoxyphenyl)acetic acid2-[(E)-(phenylhydrazinylidene)methyl]aniline4-Methoxy-3-(phenylMethoxy)benzeneacetic Acid
3-benzyloxy-4-methoxyphenylacetic acidAKOS004907097NSC-131754BS-28667ST057149SY027583DB-050282CS-0206082
Database identifiers
- CAS
5487-33-2- PubChem CID
- 280276
- DTXSID
DTXSID50299649
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Physicochemical properties
- Melting point
- 126 · 126-130 °C
- Boiling point
- 440.1 · 440.1±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- solubility
- Dichloromethane, Ethyl Acetate
- pka
- 4.34 · 4.34±0.10(Predicted)
- form
- Solid
- color
- Beige
- Symbol(GHS)
- 7 · GHS07,GHS09,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302-H400
- Precautionary statements
- 273 · P273-P391-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
- 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
- Danger
- Symbol(GHS)
- GHS07,GHS09,GHS05
- Hazard statements
- H318-H302-H400
- Precautionary statements
- P273-P391-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
Uses3-(Benzyloxy)-4-Methoxyphenylacetic Acid can act as reagent used in the preparation of inhibitors and antiinflammatory agents.
Upstream & downstream products
Upstream raw materials
Suppliers20 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
赛纳斯特化学（欢迎点击联系）021-60343070
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安阳鸿蒙新材料有限公司
Related reactions
1 records
Compound notes
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