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Home > Pyridines > 161117-83-5
161117-83-5 | Carbamic acid, N-(2-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 161117-83-5 Catalog No: AG001S6Y MDL No:MFCD11100821
Product Description
Catalog Number:
AG001S6Y
Chemical Name:
Carbamic acid, N-(2-methoxy-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
161117-83-5
Molecular Formula:
C11H16N2O3
Molecular Weight:
224.2563
MDL Number:
MFCD11100821
IUPAC Name:
tert-butyl N-(2-methoxypyridin-3-yl)carbamate
InChI:
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(14)13-8-6-5-7-12-9(8)15-4/h5-7H,1-4H3,(H,13,14)
InChI Key:
SJYKVVNRRFYDSS-UHFFFAOYSA-N
SMILES:
COc1ncccc1NC(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.116g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.26g/mol
Monoisotopic Mass:
224.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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