CAS
93819-94-4 Purity
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93819-94-4 Purity
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5-(3-Sulfopropoxy)isophthalic acid
CAS
93820-01-0
Catalog Number
ACM93820010
Category
Other Products
Molecular Weight
304.273180 [g/mol]
Molecular Formula
C11H12O8S
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Specification
Synonyms
5-(3-Sulphopropoxy)isophthalic acid, EINECS 298-585-2, CID3022512, 93820-01-0
IUPAC Name
5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid
SMILES
C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)O)C(=O)O
InChI Key
UTCFIWKVMIMCFB-UHFFFAOYSA-N
Density
1.601g/cm³
EC Number
298-585-2
Exact Mass
304.02500
H-Bond Acceptor
8
H-Bond Donor
3
What is the molecular formula of 5-(3-Sulfopropoxy)isophthalic acid?
The molecular formula of 5-(3-Sulfopropoxy)isophthalic acid is C11H12O8S.
What is the molecular weight of 5-(3-Sulfopropoxy)isophthalic acid?
The molecular weight of 5-(3-Sulfopropoxy)isophthalic acid is 304.27 g/mol.
What is the IUPAC Name of 5-(3-Sulfopropoxy)isophthalic acid?
The IUPAC Name of 5-(3-Sulfopropoxy)isophthalic acid is 5-(3-sulfopropoxy)benzene-1,3-dicarboxylic acid.
What is the InChIKey of 5-(3-Sulfopropoxy)isophthalic acid?
The InChIKey of 5-(3-Sulfopropoxy)isophthalic acid is UTCFIWKVMIMCFB-UHFFFAOYSA-N.
What is the Canonical SMILES of 5-(3-Sulfopropoxy)isophthalic acid?
The Canonical SMILES of 5-(3-Sulfopropoxy)isophthalic acid is C1=C(C=C(C=C1C(=O)O)OCCCS(=O)(=O)O)C(=O)O.
What is the CAS number of 5-(3-Sulfopropoxy)isophthalic acid?
The CAS number of 5-(3-Sulfopropoxy)isophthalic acid is 93820-01-0.
How many hydrogen bond donor counts are there in 5-(3-Sulfopropoxy)isophthalic acid?
There are 3 hydrogen bond donor counts in 5-(3-Sulfopropoxy)isophthalic acid.
What is the XLogP3-AA value of 5-(3-Sulfopropoxy)isophthalic acid?
The XLogP3-AA value of 5-(3-Sulfopropoxy)isophthalic acid is 0.2.
How many rotatable bond counts are there in 5-(3-Sulfopropoxy)isophthalic acid?
There are 7 rotatable bond counts in 5-(3-Sulfopropoxy)isophthalic acid.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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