CAS
898793-73-2 Purity
96%
898793-73-2 Purity
96%
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Ethyl 5-oxo-5-[3-(piperidinomethyl)phenyl]valerate
CAS
898793-77-6
Catalog Number
ACM898793776
Category
Other Products
Molecular Weight
317.42
Molecular Formula
C19H27NO3
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Specification
Synonyms
ETHYL 5-OXO-5-[3-(PIPERIDINOMETHYL)PHENYL]VALERATE
IUPAC Name
ethyl 5-oxo-5-[3-(piperidin-1-ylmethyl)phenyl]pentanoate
Canonical SMILES
CCOC(=O)CCCC(=O)C1=CC(=CC=C1)CN2CCCCC2
InChI Key
QLXHSPCLPLVJBY-UHFFFAOYSA-N
Boiling Point
451.6ºC at 760 mmHg
Flash Point
226.9ºC
Density
1.081g/cm³
Exact Mass
317.19900
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound ethyl 5-oxo-5-[3-(piperidinomethyl)phenyl]valerate?
The molecular formula is C19H27NO3.
What is the molecular weight of ethyl 5-oxo-5-[3-(piperidinomethyl)phenyl]valerate?
The molecular weight is 317.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 5-oxo-5-[3-(piperidin-1-ylmethyl)phenyl]pentanoate.
What is the InChI of the compound?
The InChI is InChI=1S/C19H27NO3/c1-2-23-19(22)11-7-10-18(21)17-9-6-8-16(14-17)15-20-12-4-3-5-13-20/h6,8-9,14H,2-5,7,10-13,15H2,1H3.
What is the InChIKey of the compound?
The InChIKey is QLXHSPCLPLVJBY-UHFFFAOYSA-N.
What is the canonical SMILES notation for the compound?
The canonical SMILES is CCOC(=O)CCCC(=O)C1=CC=CC(=C1)CN2CCCCC2.
What is the CAS number of the compound?
The CAS number is 898793-77-6.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the exact mass of the compound?
The exact mass is 317.19909372 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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