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138808-56-7 | 4-Pyridinepropanoic acid, α-(acetylamino)-, methyl ester (9CI)
CAS No: 138808-56-7 Catalog No: AG0019MJ MDL No:MFCD26523296
Product Description
Catalog Number:
AG0019MJ
Chemical Name:
4-Pyridinepropanoic acid, α-(acetylamino)-, methyl ester (9CI)
CAS Number:
138808-56-7
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD26523296
IUPAC Name:
methyl 2-acetamido-3-pyridin-4-ylpropanoate
InChI:
InChI=1S/C11H14N2O3/c1-8(14)13-10(11(15)16-2)7-9-3-5-12-6-4-9/h3-6,10H,7H2,1-2H3,(H,13,14)
InChI Key:
PJJCGDFXGVGJMX-UHFFFAOYSA-N
SMILES:
COC(=O)C(Cc1ccncc1)NC(=O)C
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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