Home Carboxys methyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate

methyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate

CAS No.:
127744-63-2
Catalog Number:
AG01AMPX
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG01AMPX
Chemical Name:
methyl 4-oxo-1,2,3,4-tetrahydropyridine-1-carboxylate
CAS Number:
127744-63-2
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD24690474
IUPAC Name:
methyl 4-oxo-2,3-dihydropyridine-1-carboxylate
InChI:
InChI=1S/C7H9NO3/c1-11-7(10)8-4-2-6(9)3-5-8/h2,4H,3,5H2,1H3
InChI Key:
NCFBALCGLIRCSQ-UHFFFAOYSA-N
SMILES:
COC(=O)N1CCC(=O)C=C1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties