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1260649-54-4

1260649-54-4 | 2-Pyridineacetic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No: 1260649-54-4 Catalog No: AG000QYF MDL No:MFCD11848323

Product Description

Catalog Number:
AG000QYF
Chemical Name:
2-Pyridineacetic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
1260649-54-4
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
MDL Number:
MFCD11848323
IUPAC Name:
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]acetic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9-5-4-8(13-7-9)6-10(15)16/h4-5,7H,6H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
FPERASUDPDOSIT-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cn1)NC(=O)OC(C)(C)C

Properties

Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

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