CAS
98516-75-7 Purity
96%
98516-75-7 Purity
96%
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Benzyl oxopropyl mesylate
CAS
98518-10-6
Catalog Number
ACM98518106
Category
Other Products
Molecular Weight
244.31
Molecular Formula
C11H16O4S
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Specification
Synonyms
1-Propanol, 3-(phenylmethoxy)-, methanesulfonate, 98518-10-6, ACMC-20m2f4, CTK3G7808
IUPAC Name
methanesulfonic acid;3-phenylmethoxypropan-1-ol
Canonical SMILES
CS(=O)(=O)O.C1=CC=C(C=C1)COCCCO
InChI Key
BBUVCIFKEOILIK-UHFFFAOYSA-N
Exact Mass
262.08700
H-Bond Acceptor
5
H-Bond Donor
2
What is the molecular formula of Benzyl oxopropyl mesylate?
The molecular formula of Benzyl oxopropyl mesylate is C11H14O4S.
When was Benzyl oxopropyl mesylate created?
Benzyl oxopropyl mesylate was created on December 11, 2015.
What is the IUPAC Name of Benzyl oxopropyl mesylate?
The IUPAC Name of Benzyl oxopropyl mesylate is 3-oxopropyl 2-phenylethanesulfonate.
What is the Canonical SMILES of Benzyl oxopropyl mesylate?
The Canonical SMILES of Benzyl oxopropyl mesylate is C1=CC=C(C=C1)CCS(=O)(=O)OCCC=O.
What is the molecular weight of Benzyl oxopropyl mesylate?
The molecular weight of Benzyl oxopropyl mesylate is 242.29 g/mol.
What is the InChI of Benzyl oxopropyl mesylate?
The InChI of Benzyl oxopropyl mesylate is InChI=1S/C11H14O4S/c12-8-4-9-15-16(13,14)10-7-11-5-2-1-3-6-11/h1-3,5-6,8H,4,7,9-10H2.
How many hydrogen bond donor counts does Benzyl oxopropyl mesylate have?
Benzyl oxopropyl mesylate has 0 hydrogen bond donor counts.
What is the exact mass of Benzyl oxopropyl mesylate?
The exact mass of Benzyl oxopropyl mesylate is 242.06128010 g/mol.
How many rotatable bond counts does Benzyl oxopropyl mesylate have?
Benzyl oxopropyl mesylate has 7 rotatable bond counts.
Is the compound canonicalized for Benzyl oxopropyl mesylate?
Yes, the compound is canonicalized for Benzyl oxopropyl mesylate.
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