CAS
946-31-6 Purity
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946-31-6 Purity
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1-(3-Methoxy-2-methylphenyl)-4-piperidone
CAS
94634-99-8
Catalog Number
ACM94634998
Category
Other Products
Molecular Weight
219.279580 [g/mol]
Molecular Formula
C13H17NO2
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Specification
Synonyms
1-(3-METHOXY-2-METHYLPHENYL)-4-PIPERIDONE, 94634-99-8, CTK5H6892, AG-H-90603
IUPAC Name
1-(3-methoxy-2-methylphenyl)piperidin-4-one
InChI Key
GQOYTLSXYGUTRW-UHFFFAOYSA-N
Exact Mass
219.12600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 53422117?
The molecular formula is C13H17NO2.
What is the molecular weight of the compound?
The molecular weight is 219.28 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(3-methoxy-2-methylphenyl)piperidin-4-one.
What is the InChI of the compound?
The InChI is InChI=1S/C13H17NO2/c1-10-12(4-3-5-13(10)16-2)14-8-6-11(15)7-9-14/h3-5H,6-9H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey is GQOYTLSXYGUTRW-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CC1=C(C=CC=C1OC)N2CCC(=O)CC2.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 1.8.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
94640-13-8 Purity
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94640-13-8 Purity
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