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20845-30-1,MFCD22395746
Catalog No.:AA00BJLD
20845-30-1 | 6-(hydroxymethyl)-1-methylpiperidin-2-one
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Technical Information
Catalog Number:
AA00BJLD
Chemical Name:
6-(hydroxymethyl)-1-methylpiperidin-2-one
CAS Number:
20845-30-1
Molecular Formula:
C7H13NO2
Molecular Weight:
143.1836
MDL Number:
MFCD22395746
IUPAC Name:
6-(hydroxymethyl)-1-methylpiperidin-2-one
InChI:
InChI=1S/C7H13NO2/c1-8-6(5-9)3-2-4-7(8)10/h6,9H,2-5H2,1H3
InChI Key:
HZFMUHWDTCSCFI-UHFFFAOYSA-N
SMILES:
OCC1CCCC(=O)N1C
Properties
Computed Properties
 
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.095g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
143.186g/mol
Monoisotopic Mass:
143.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  

Synonyms
 
20845-30-1 
6-(hydroxymethyl)-1-methylpiperidin-2-one 
6-(HYDROXYMETHYL)-1-METHYL-2-PIPERIDINONE 
SCHEMBL5991525 
HZFMUHWDTCSCFI-UHFFFAOYSA-N 
AKOS027252593 
6-hydroxymethyl-1-methyl-piperidin-2-one 
2-Piperidinone, 6-(hydroxymethyl)-1-methyl- 
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