CAS
95310-88-6 Purity
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95310-88-6 Purity
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4-Methyl-(phenylsulfonyl)propanoic acid ethyl ester
CAS
95314-82-2
Catalog Number
ACM95314822
Category
Other Products
Molecular Weight
256.318040 [g/mol]
Molecular Formula
C12H16O4S
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Specification
Synonyms
Ethyl 2-tosylpropanoate, 95314-82-2, 4-METHYL-(PHENYLSULFONYL) PROPANOIC ACID ETHYL ESTER, SureCN10419531, CTK5H7645, AKOS010992300, AB24942, AG-H-92528, AK140501, ethyl 2-[(4-methylphenyl)sulfonyl]propanoate
IUPAC Name
ethyl 2-(4-methylphenyl)sulfonylpropanoate
Canonical SMILES
CCOC(=O)C(C)S(=O)(=O)C1=CC=C(C=C1)C
InChI Key
WYELDSBLILVIST-UHFFFAOYSA-N
Exact Mass
256.07700
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C12H16O4S.
What is the molecular weight of the compound?
The molecular weight of the compound is 256.32 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 2-(4-methylphenyl)sulfonylpropanoate.
What is the InChIKey of the compound?
The InChIKey of the compound is WYELDSBLILVIST-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
What is the exact mass of the compound?
The exact mass of the compound is 256.07693016 g/mol.
Does the compound have any defined atom stereocenter count?
No, the compound does not have any defined atom stereocenter count.
How many rotatable bond counts does the compound have?
The compound has 5 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 68.8 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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