CAS
99-47-8 Purity
96%
99-47-8 Purity
96%
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2-Cyclohexen-1-one,2-(chloroacetyl)-3-hydroxy-(9ci)
CAS
99483-05-3
Catalog Number
ACM99483053
Category
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What is the molecular formula of 2-Cyclohexen-1-one, 2-(chloroacetyl)-3-hydroxy- (9CI)?
The molecular formula is C8H9ClO3.
When was this compound created and modified in PubChem?
It was created on 2007-02-09 and last modified on 2023-12-30.
What is the IUPAC name of this compound?
The IUPAC name is 2-(2-chloro-1-hydroxyethylidene)cyclohexane-1,3-dione.
What is the InChI of 2-Cyclohexen-1-one, 2-(chloroacetyl)-3-hydroxy- (9CI)?
The InChI is InChI=1S/C8H9ClO3/c9-4-7(12)8-5(10)2-1-3-6(8)11/h12H,1-4H2.
What is the InChIKey of this compound?
The InChIKey is GEFJMJGHCINHAX-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Cyclohexen-1-one, 2-(chloroacetyl)-3-hydroxy- (9CI)?
The Canonical SMILES is C1CC(=O)C(=C(CCl)O)C(=O)C1.
What is the molecular weight of this compound?
The molecular weight is 188.61 g/mol.
How many hydrogen bond donor count does this compound have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Cyclohexen-1-one, 2-(chloroacetyl)-3-hydroxy- (9CI)?
The topological polar surface area is 54.4?2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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