CAS
94134-03-9 Purity
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94134-03-9 Purity
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Methyl 5-sulfo-o-anisate
CAS
94134-07-3
Catalog Number
ACM94134073
Category
Other Products
Molecular Weight
246.237100 [g/mol]
Molecular Formula
C9H10O6S
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Specification
Synonyms
Methyl 5-sulpho-o-anisate, EINECS 302-773-2, 94134-07-3
IUPAC Name
4-methoxy-3-methoxycarbonylbenzenesulfonic acid
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)O)C(=O)OC
InChI Key
OTNVYRVUMVCGJU-UHFFFAOYSA-N
Density
1.414g/cm³
EC Number
302-773-2
Exact Mass
246.02000
H-Bond Acceptor
6
H-Bond Donor
1
What is the molecular formula of Methyl 5-sulfo-o-anisate?
The molecular formula of Methyl 5-sulfo-o-anisate is C9H10O6S.
When was Methyl 5-sulfo-o-anisate created and modified in PubChem?
Methyl 5-sulfo-o-anisate was created on 2009-08-20 and modified on 2023-12-30.
What are some synonyms for Methyl 5-sulfo-o-anisate?
Some synonyms for Methyl 5-sulfo-o-anisate include Methyl 5-sulpho-o-anisate, 4-Methoxy-3-(methoxycarbonyl)benzenesulfonic acid, and KJE6WP7YP2.
What is the molecular weight of Methyl 5-sulfo-o-anisate?
The molecular weight of Methyl 5-sulfo-o-anisate is 246.24 g/mol.
What is the IUPAC name of Methyl 5-sulfo-o-anisate?
The IUPAC name of Methyl 5-sulfo-o-anisate is 4-methoxy-3-methoxycarbonylbenzenesulfonic acid.
What is the InChIKey of Methyl 5-sulfo-o-anisate?
The InChIKey of Methyl 5-sulfo-o-anisate is OTNVYRVUMVCGJU-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in Methyl 5-sulfo-o-anisate?
There are 6 hydrogen bond acceptors in Methyl 5-sulfo-o-anisate.
What is the topological polar surface area of Methyl 5-sulfo-o-anisate?
The topological polar surface area of Methyl 5-sulfo-o-anisate is 98.3 Ų.
Is Methyl 5-sulfo-o-anisate a canonicalized compound?
Yes, Methyl 5-sulfo-o-anisate is a canonicalized compound.
What is the exact mass of Methyl 5-sulfo-o-anisate?
The exact mass of Methyl 5-sulfo-o-anisate is 246.01980921 g/mol.
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