Basic information
- CAS
51028-96-7- Standard SMILES
COc1cc(C)cc(CC(=O)O)c1- InChIKey
PBXBJFPJMJLSKL-UHFFFAOYSA-N- Molecular formula
- C10H12O3
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.07864424
Names & identifiers
- Preferred name
- Acetic acid, 5-methoxy-m-tolyl-
- IUPAC
- 2-(3-methoxy-5-methylphenyl)acetic acid
- English name
- 3-Methoxy-5-methylbenzeneacetic acid
- Molecular formula
- C10H12O3
- Molecular weight
- 180.2
Names & synonyms
51028-96-7ACETIC ACID, 5-METHOXY-m-TOLYL-5-Methoxy-m-tolylacetic acidBRN 2092235DTXSID30199037RefChem:316538DTXCID601215282-(3-methoxy-5-methylphenyl)acetic acid3-Methoxy-5-methylbenzeneacetic acid(3-METHOXY-5-METHYLPHENYL)ACETIC ACIDCHEMBL138979SCHEMBL5742710
Show more names
5-Methoxy-3-methylbenzeneacetic acidBenzeneacetic acid, 3-methoxy-5-methyl-
SCHEMBL31337559PBXBJFPJMJLSKL-UHFFFAOYSA-N3-methoxy-5-methylphenylacetic acidMFCD01672582AKOS006279274AB09720(3-Methoxy-5-methyl-phenyl)-acetic acidF85864
Database identifiers
- CAS
51028-96-7- PubChem CID
- 39879
- DTXSID
DTXSID30199037- ChEMBL
CHEMBL138979- Nikkaji
- J86.237A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
7 records
Compound notes
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