CAS
94532-99-7 Purity
96%
94532-99-7 Purity
96%
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cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid
CAS
945362-37-8
Catalog Number
ACM945362378
Category
Other Products
Molecular Weight
266.72
Molecular Formula
C14H15ClO3
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Specification
Synonyms
CIS-4-(4-CHLOROBENZOYL)CYCLOHEXANE-1-CARBOXYLIC ACID
IUPAC Name
4-(4-chlorobenzoyl)cyclohexane-1-carboxylic acid
Canonical SMILES
C1CC(CCC1C(=O)C2=CC=C(C=C2)Cl)C(=O)O
InChI Key
WCQLQZORPAKACY-UHFFFAOYSA-N
Boiling Point
448.9ºC at 760 mmHg
Flash Point
225.3ºC
Density
1.284g/cm³
Exact Mass
266.07100
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The molecular formula is C14H15ClO3.
What is the molecular weight of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The molecular weight is 266.72 g/mol.
What is the IUPAC name of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The IUPAC name is 4-(4-chlorobenzoyl)cyclohexane-1-carboxylic acid.
What is the InChI of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The InChI is InChI=1/C14H15ClO3/c15-12-7-5-10(6-8-12)13(16)9-1-3-11(4-2-9)14(17)18/h5-9,11H,1-4H2,(H,17,18).
What is the InChIKey of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The InChIKey is WCQLQZORPAKACY-UHFFFAOYSA-N.
What is the Canonical SMILES of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The Canonical SMILES is C1CC(CCC1C(=O)C2=CC=C(C=C2)Cl)C(=O)O.
What is the XLogP3-AA value of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The XLogP3-AA value is 2.9.
How many hydrogen bond donor counts are there in cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
There is 1 hydrogen bond donor count.
What is the topological polar surface area of cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid?
The topological polar surface area is 54.4 Ų.
Is cis-4-(4-Chlorobenzoyl)cyclohexane-1-carboxylic acid a canonicalized compound according to PubChem?
Yes, it is a canonicalized compound.
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