Basic information
- CAS
6459-12-7- Standard SMILES
CCOc1cccc(OCC(=O)O)c1- InChIKey
BVRYXSIGNDFPSN-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 3-Ethoxyphenoxyacetic acid
- IUPAC
- 2-(3-ethoxyphenoxy)acetic acid
- English name
- (3-Ethoxy-phenoxy)-acetic acid
- Molecular formula
- C10H12O4
- Molecular weight
- 196.2
Names & synonyms
2-(3-ethoxyphenoxy)acetic acid(3-Ethoxy-phenoxy)-acetic acid3-ethoxyphenoxyacetic acid6459-12-7(3-ethoxyphenoxy)acetic acidAceticacid, 2-(3-ethoxyphenoxy)-NSC38180CHEMBL3247411SCHEMBL15063356DTXSID60284662BVRYXSIGNDFPSN-UHFFFAOYSA-NMFCD06823834
Show more names
ASINEX-REAG BAS 16535354Acetic acid, 2-(3-ethoxyphenoxy)-
NSC-38180STK317927AKOS000103425DS-000500ST50401446EN300-1858126A1-18715
Database identifiers
- CAS
6459-12-7- PubChem CID
- 236124
- DTXSID
DTXSID60284662- ChEMBL
CHEMBL3247411
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Hazard Codes
- Xi
- 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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
1 records
Compound notes
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