CAS
95459-73-7 Purity
96%
95459-73-7 Purity
96%
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3-(3-Methylphenyl)propiophenone
CAS
95465-70-6
Catalog Number
ACM95465706
Category
Other Products
Molecular Weight
224.3
Molecular Formula
C16H16O
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Specification
Synonyms
3-(3-METHYLPHENYL)PROPIOPHENONE
IUPAC Name
3-(3-methylphenyl)-1-phenylpropan-1-one
Canonical SMILES
CC1=CC(=CC=C1)CCC(=O)C2=CC=CC=C2
InChI Key
WFZJENUFNMLSIR-UHFFFAOYSA-N
Boiling Point
368.2ºC at 760 mmHg
Flash Point
159.8ºC
Density
1.045g/cm³
Exact Mass
224.12000
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 3-(3-Methylphenyl)propiophenone?
The molecular formula is C16H16O.
What is the IUPAC name of 3-(3-Methylphenyl)propiophenone?
The IUPAC name is 3-(3-methylphenyl)-1-phenylpropan-1-one.
What is the InChI of 3-(3-Methylphenyl)propiophenone?
The InChI is InChI=1S/C16H16O/c1-13-6-5-7-14(12-13)10-11-16(17)15-8-3-2-4-9-15/h2-9,12H,10-11H2,1H3.
What is the InChIKey of 3-(3-Methylphenyl)propiophenone?
The InChIKey is WFZJENUFNMLSIR-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-(3-Methylphenyl)propiophenone?
The Canonical SMILES is CC1=CC(=CC=C1)CCC(=O)C2=CC=CC=C2.
What is the molecular weight of 3-(3-Methylphenyl)propiophenone?
The molecular weight is 224.30 g/mol.
What is the XLogP3-AA value of 3-(3-Methylphenyl)propiophenone?
The XLogP3-AA value is 3.9.
How many hydrogen bond acceptor counts does 3-(3-Methylphenyl)propiophenone have?
It has 1 hydrogen bond acceptor count.
What is the topological polar surface area of 3-(3-Methylphenyl)propiophenone?
The topological polar surface area is 17.1 Ų.
Is 3-(3-Methylphenyl)propiophenone considered as a canonicalized compound?
Yes, the compound is canonicalized according to PubChem.
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