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1001426-31-8 | 2-Pyridineacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS No: 1001426-31-8 Catalog No: AG000135 MDL No:MFCD22576929
Product Description
Catalog Number:
AG000135
Chemical Name:
2-Pyridineacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester
CAS Number:
1001426-31-8
Molecular Formula:
C13H18N2O4
Molecular Weight:
266.2930
MDL Number:
MFCD22576929
IUPAC Name:
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-pyridin-2-ylacetate
InChI:
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(17)15-10(11(16)18-4)9-7-5-6-8-14-9/h5-8,10H,1-4H3,(H,15,17)
InChI Key:
LJZMKBCSGGDFMU-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccccn1)NC(=O)OC(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.127g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.297g/mol
Monoisotopic Mass:
266.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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