Home Other Building Blocks 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER

4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER

CAS No.:
59086-27-0
Catalog Number:
AG00E9D1
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG00E9D1
Chemical Name:
4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER
CAS Number:
59086-27-0
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD01320356
IUPAC Name:
ethyl 4-oxo-4-pyridin-3-ylbutanoate
InChI:
InChI=1S/C11H13NO3/c1-2-15-11(14)6-5-10(13)9-4-3-7-12-8-9/h3-4,7-8H,2,5-6H2,1H3
InChI Key:
PCCAREBWDSOBIW-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCC(=O)c1cccnc1
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
56.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties