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1216983-06-0 | 6-(2-Aziridin-1-ylethoxy)pyridine-2-carboxylic acid
CAS No: 1216983-06-0 Catalog No: AG01F8P7 MDL No:
Product Description
Catalog Number:
AG01F8P7
Chemical Name:
6-(2-Aziridin-1-ylethoxy)pyridine-2-carboxylic acid
CAS Number:
1216983-06-0
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
IUPAC Name:
6-[2-(aziridin-1-yl)ethoxy]pyridine-2-carboxylic acid
InChI:
InChI=1S/C10H12N2O3/c13-10(14)8-2-1-3-9(11-8)15-7-6-12-4-5-12/h1-3H,4-7H2,(H,13,14)
InChI Key:
NRWGXNMTXGARTC-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(n1)OCCN1CC1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
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