CAS
898793-44-7 Purity
96%
898793-44-7 Purity
96%
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Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone
CAS
898793-47-0
Catalog Number
ACM898793470
Category
Other Products
Molecular Weight
230.35
Molecular Formula
C16H22O
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Specification
Synonyms
CYCLOPENTYL 2-(2,3-DIMETHYLPHENYL)ETHYL KETONE
IUPAC Name
1-cyclopentyl-3-(2,3-dimethylphenyl)propan-1-one
Canonical SMILES
CC1=C(C(=CC=C1)CCC(=O)C2CCCC2)C
InChI Key
DWXSFFHIIVRILK-UHFFFAOYSA-N
Boiling Point
350.2ºC at 760 mmHg
Flash Point
149.1ºC
Density
1.002g/cm³
Exact Mass
230.16700
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The molecular formula is C16H22O.
What is the molecular weight of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The molecular weight is 230.34 g/mol.
What is the IUPAC name of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The IUPAC name is 1-cyclopentyl-3-(2,3-dimethylphenyl)propan-1-one.
What is the InChI of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The InChI is InChI=1S/C16H22O/c1-12-6-5-9-14(13(12)2)10-11-16(17)15-7-3-4-8-15/h5-6,9,15H,3-4,7-8,10-11H2,1-2H3.
What is the InChIKey of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The InChIKey is DWXSFFHIIVRILK-UHFFFAOYSA-N.
What is the Canonical SMILES of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The Canonical SMILES is CC1=C(C(=CC=C1)CCC(=O)C2CCCC2)C.
How many hydrogen bond donor counts does Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone have?
It has 0 hydrogen bond donor counts.
What is the exact mass of Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone?
The exact mass is 230.167065321 g/mol.
How many rotatable bond counts does Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone have?
It has 4 rotatable bond counts.
Is Cyclopentyl 2-(2,3-dimethylphenyl)ethyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
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