Basic information
- CAS
30129-68-1- Standard SMILES
COc1ccc2scc(CC(=O)O)c2c1- InChIKey
ZVDZFCSTOMPOMO-UHFFFAOYSA-N- Molecular formula
- C11H10O3S
- Average molar mass
- 222.26 g/mol
- Monoisotopic mass
- 222.03506535
Names & identifiers
- Preferred name
- BENZO(b)THIOPHENE-3-ACETIC ACID, 5-METHOXY-
- IUPAC
- 2-(5-methoxy-1-benzothiophen-3-yl)acetic acid
- English name
- (5-Methoxy-benzo(b)thiophen-3-yl)acetic acid
- Molecular formula
- C11H10O3S
- Molecular weight
- 222.26
Names & synonyms
30129-68-12-(5-methoxybenzo[b]thiophen-3-yl)acetic acidBENZO(b)THIOPHENE-3-ACETIC ACID, 5-METHOXY-2-(5-methoxy-1-benzothiophen-3-yl)acetic acidBRN 13765795-Methoxybenzo(b)thiophene-3-acetic acid(5-methoxy-benzo(b)thiophen-3-yl)acetic acidSCHEMBL8884503DTXSID00184218AKOS0175478145-Methoxy-benzo[b]thiophen-3-essigsaure(5-methoxy-1-benzothiophen-3-yl)acetic acid
Show more names
Benzo[b]thiophene-3-acetic acid, 5-methoxy-
G63847
Database identifiers
- CAS
30129-68-1- PubChem CID
- 34830
- DTXSID
DTXSID00184218
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
Chemistry & industry
Suppliers1 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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