Home Carboxys methyl 3-methyl-4-oxopiperidine-1-carboxylate

methyl 3-methyl-4-oxopiperidine-1-carboxylate

CAS No.:
31633-72-4
Catalog Number:
AG00D0B4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG00D0B4
Chemical Name:
methyl 3-methyl-4-oxopiperidine-1-carboxylate
CAS Number:
31633-72-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD09838568
IUPAC Name:
methyl 3-methyl-4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-6-5-9(8(11)12-2)4-3-7(6)10/h6H,3-5H2,1-2H3
InChI Key:
JWXGBLNGCIGLBH-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(=O)C(C1)C
EC Number:
250-740-5
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties