CAS
94157-91-2 Purity
96%
94157-91-2 Purity
96%
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3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid
CAS
94157-96-7
Catalog Number
ACM94157967
Category
Other Products
Molecular Weight
268.285680 [g/mol]
Molecular Formula
C12H12O5S
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Specification
Synonyms
EINECS 303-065-6, 3,5,6-Trimethoxybenzo(b)thiophene-3-carboxylic acid, 94157-96-7
IUPAC Name
methyl 5,6-dimethoxy-1-benzothiophene-3-carboperoxoate
InChI Key
PGSWHMVFPRKVTH-UHFFFAOYSA-N
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid?
The molecular formula is C12H12O5S.
What is the molecular weight of 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid?
The molecular weight is 268.29 g/mol.
When was 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid created?
It was created on 2009-08-20.
What is the Canonical SMILES of 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid?
The Canonical SMILES is COC1=C(C=C2C(=C1)C(=CS2)C(=O)OOC)OC.
What is the InChIKey of 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid?
The InChIKey is PGSWHMVFPRKVTH-UHFFFAOYSA-N.
How many Hydrogen Bond Donor Count does 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid have?
It has 0 Hydrogen Bond Donor Count.
What is the XLogP3-AA value of 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid?
The XLogP3-AA value is 2.8.
What is the Topological Polar Surface Area of 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid?
The Topological Polar Surface Area is 82.2 Ų.
Is 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid a Covalently-Bonded Unit?
Yes, it is a Covalently-Bonded Unit.
How many Rotatable Bond Count does 3,5,6-Trimethoxybenzo[b]thiophene-3-carboxylic acid have?
It has 5 Rotatable Bond Count.
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