CAS
898790-37-9 Purity
96%
898790-37-9 Purity
96%
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Cyclobutyl 3-methylphenyl ketone
CAS
898790-40-4
Catalog Number
ACM898790404
Category
Other Products
Molecular Weight
174.24
Molecular Formula
C12H14O
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Specification
Synonyms
CYCLOBUTYL 3-METHYLPHENYL KETONE
IUPAC Name
cyclobutyl-(3-methylphenyl)methanone
Canonical SMILES
CC1=CC=CC(=C1)C(=O)C2CCC2
InChI Key
LHNLEUIZSLSCMZ-UHFFFAOYSA-N
Boiling Point
280.2ºC at 760 mmHg
Flash Point
115.9ºC
Density
1.06g/cm³
Exact Mass
174.10400
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 3-methylphenyl ketone?
The molecular formula of Cyclobutyl 3-methylphenyl ketone is C12H14O.
What is the molecular weight of Cyclobutyl 3-methylphenyl ketone?
The molecular weight of Cyclobutyl 3-methylphenyl ketone is 174.24 g/mol.
What is the IUPAC name of Cyclobutyl 3-methylphenyl ketone?
The IUPAC name of Cyclobutyl 3-methylphenyl ketone is cyclobutyl-(3-methylphenyl)methanone.
What is the InChIKey of Cyclobutyl 3-methylphenyl ketone?
The InChIKey of Cyclobutyl 3-methylphenyl ketone is LHNLEUIZSLSCMZ-UHFFFAOYSA-N.
What is the canonical SMILES notation for Cyclobutyl 3-methylphenyl ketone?
The canonical SMILES notation for Cyclobutyl 3-methylphenyl ketone is CC1=CC(=CC=C1)C(=O)C2CCC2.
How many hydrogen bond donor counts does Cyclobutyl 3-methylphenyl ketone have?
Cyclobutyl 3-methylphenyl ketone has 0 hydrogen bond donor counts.
What is the topological polar surface area of Cyclobutyl 3-methylphenyl ketone?
The topological polar surface area of Cyclobutyl 3-methylphenyl ketone is 17.1 Ų.
Is Cyclobutyl 3-methylphenyl ketone a canonicalized compound?
Yes, Cyclobutyl 3-methylphenyl ketone is a canonicalized compound.
What is the rotatable bond count of Cyclobutyl 3-methylphenyl ketone?
The rotatable bond count of Cyclobutyl 3-methylphenyl ketone is 2.
What is the exact mass of Cyclobutyl 3-methylphenyl ketone?
The exact mass of Cyclobutyl 3-methylphenyl ketone is 174.104465066 g/mol.
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