CAS
898790-20-0 Purity
96%
898790-20-0 Purity
96%
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Cyclopropyl 2-(2-methylphenyl)ethyl ketone
CAS
898790-23-3
Catalog Number
ACM898790233
Category
Other Products
Molecular Weight
188.27
Molecular Formula
C13H16O
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Specification
Synonyms
CYCLOPROPYL 2-(2-METHYLPHENYL)ETHYL KETONE
IUPAC Name
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
Canonical SMILES
CC1=CC=CC=C1CCC(=O)C2CC2
InChI Key
ITABVQWFCCCEKE-UHFFFAOYSA-N
Boiling Point
294.2ºC at 760 mmHg
Flash Point
122.5ºC
Density
1.057g/cm³
Exact Mass
188.12000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclopropyl 2-(2-methylphenyl)ethyl ketone?
The molecular formula is C13H16O.
When was Cyclopropyl 2-(2-methylphenyl)ethyl ketone first created in PubChem?
It was first created on February 29, 2008.
What is the IUPAC name of Cyclopropyl 2-(2-methylphenyl)ethyl ketone?
The IUPAC name is 1-cyclopropyl-3-(2-methylphenyl)propan-1-one.
What is the InChIKey of Cyclopropyl 2-(2-methylphenyl)ethyl ketone?
The InChIKey is ITABVQWFCCCEKE-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Cyclopropyl 2-(2-methylphenyl)ethyl ketone have?
It has 0 hydrogen bond donor counts.
What is the exact mass of Cyclopropyl 2-(2-methylphenyl)ethyl ketone?
The exact mass is 188.120115130 g/mol.
How many rotatable bond counts does Cyclopropyl 2-(2-methylphenyl)ethyl ketone have?
It has 4 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
What is the topological polar surface area of Cyclopropyl 2-(2-methylphenyl)ethyl ketone?
The topological polar surface area is 17.1 2.
How many heavy atom counts are present in Cyclopropyl 2-(2-methylphenyl)ethyl ketone?
There are 14 heavy atom counts.
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