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1260880-22-5 | 3-Pyridineacetic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS No: 1260880-22-5 Catalog No: AG000RI9 MDL No:
Product Description
Catalog Number:
AG000RI9
Chemical Name:
3-Pyridineacetic acid, 5-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
1260880-22-5
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-3-yl]acetic acid
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(17)14-9-4-8(5-10(15)16)6-13-7-9/h4,6-7H,5H2,1-3H3,(H,14,17)(H,15,16)
InChI Key:
LKOXETQRRZOXNQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cncc(c1)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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