CAS
902836-06-0 Purity
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902836-06-0 Purity
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4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde
CAS
902836-47-9
Catalog Number
ACM902836479
Category
Other Products
Molecular Weight
224.683420 [g/mol]
Molecular Formula
C12H13ClO2
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Specification
Synonyms
ST50825750, 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde, 902836-47-9, ACMC-20amxp, AC1Q3HGW, CTK5G7596, ZINC12359743, AG-H-69916, MCULE-9085900833, 4-(2-Chloro-Phenyl)-Tetrahydro-Pyran-4-Carbaldehyde, 4-(2-chlorophenyl)-2H-3,4,5,6-tetrahydropyran-4-carbaldehyde
IUPAC Name
4-(2-chlorophenyl)oxane-4-carbaldehyde
Canonical SMILES
C1COCCC1(C=O)C2=CC=CC=C2Cl
InChI Key
VLDLOMXOOPWPHR-UHFFFAOYSA-N
Boiling Point
338.4ºC at 760 mmHg
Flash Point
141.1ºC
Density
1.257g/cm³
Exact Mass
224.06000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde?
The molecular formula is C12H13ClO2.
When was the structure of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde created and modified?
The structure was created on 2009-05-30 and modified on 2023-12-30.
What is the molecular weight of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde?
The molecular weight is 224.68 g/mol.
What is the IUPAC Name of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde?
The IUPAC Name is 4-(2-chlorophenyl)oxane-4-carbaldehyde.
What is the InChIKey of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde?
The InChIKey is VLDLOMXOOPWPHR-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde have?
It has 2 hydrogen bond acceptors.
What is the exact mass of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde?
The exact mass is 224.0604073 g/mol.
Is 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde a canonicalized compound?
Yes, it is canonicalized.
How many rotatable bonds does 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde have?
It has 2 rotatable bonds.
What is the topological polar surface area of 4-(2-Chlorophenyl)tetrahydro-2H-pyran-4-carboxaldehyde?
The topological polar surface area is 26.3 Ų.
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