Home Other Building Blocks 3-Pyridinebutanoic acid, α,γ-dioxo-, methyl ester

3-Pyridinebutanoic acid, α,γ-dioxo-, methyl ester

CAS No.:
23424-36-4
Catalog Number:
AG002N6A
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
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Product Description
Catalog Number:
AG002N6A
Chemical Name:
3-Pyridinebutanoic acid, α,γ-dioxo-, methyl ester
CAS Number:
23424-36-4
Molecular Formula:
C10H9NO4
Molecular Weight:
207.1828
MDL Number:
MFCD06245328
IUPAC Name:
methyl 2,4-dioxo-4-pyridin-3-ylbutanoate
InChI:
InChI=1S/C10H9NO4/c1-15-10(14)9(13)5-8(12)7-3-2-4-11-6-7/h2-4,6H,5H2,1H3
InChI Key:
RDKSBIHJNITCTI-UHFFFAOYSA-N
SMILES:
COC(=O)C(=O)CC(=O)c1cccnc1
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.053g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.185g/mol
Monoisotopic Mass:
207.053g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties