CAS
95093-95-1 Purity
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95093-95-1 Purity
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5-Hydroxy-1-benzothiophene-2-carboxylic acid
CAS
95094-87-4
Catalog Number
ACM95094874
Category
Other Products
Molecular Weight
194.207140 [g/mol]
Molecular Formula
C9H6O3S
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Specification
Synonyms
5-hydroxy-1-benzothiophene-2-carboxylic acid, 95094-87-4, NSC108959, AC1Q5UXA, AC1L6KQ4, SureCN2194399, CTK3I5981, AR-1G8407, AKOS005215911, AG-K-96745, NSC-108959, KB-246197, 5-hydroxybenzo[b]thiophene-2-carboxylic acid, Benzo[b]thiophene-2-carboxylicacid, 5-hydroxy-
IUPAC Name
5-hydroxy-1-benzothiophene-2-carboxylic acid
Canonical SMILES
C1=CC2=C(C=C1O)C=C(S2)C(=O)O
InChI Key
FPPLUUPWGRRIIN-UHFFFAOYSA-N
Exact Mass
194.00400
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of 5-Hydroxy-1-benzothiophene-2-carboxylic acid?
The molecular formula of 5-Hydroxy-1-benzothiophene-2-carboxylic acid is C9H6O3S.
When was 5-Hydroxy-1-benzothiophene-2-carboxylic acid created and modified in PubChem?
It was created on 2005-03-26 and modified on 2023-12-30.
What is the IUPAC name of 5-Hydroxy-1-benzothiophene-2-carboxylic acid?
The IUPAC name is 5-hydroxy-1-benzothiophene-2-carboxylic acid.
What is the InChI key of 5-Hydroxy-1-benzothiophene-2-carboxylic acid?
The InChI key is FPPLUUPWGRRIIN-UHFFFAOYSA-N.
What is the Canonical SMILES of 5-Hydroxy-1-benzothiophene-2-carboxylic acid?
The Canonical SMILES is C1=CC2=C(C=C1O)C=C(S2)C(=O)O.
What is the molecular weight of 5-Hydroxy-1-benzothiophene-2-carboxylic acid?
The molecular weight is 194.21 g/mol.
How many hydrogen bond donor counts does 5-Hydroxy-1-benzothiophene-2-carboxylic acid have?
It has 2 hydrogen bond donor counts.
What is the topological polar surface area of 5-Hydroxy-1-benzothiophene-2-carboxylic acid?
The topological polar surface area is 85.8 Ų.
Does 5-Hydroxy-1-benzothiophene-2-carboxylic acid have any defined atom stereocenter counts?
No, it does not have any defined atom stereocenter counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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