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Home > Pyridines > 116026-93-8
116026-93-8 | Carbamic acid, N-(3-formyl-4-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 116026-93-8 Catalog No: AG000BFJ MDL No:MFCD01860246
Product Description
Catalog Number:
AG000BFJ
Chemical Name:
Carbamic acid, N-(3-formyl-4-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
116026-93-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD01860246
IUPAC Name:
tert-butyl N-(3-formylpyridin-4-yl)carbamate
InChI:
InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-4-5-12-6-8(9)7-14/h4-7H,1-3H3,(H,12,13,15)
InChI Key:
UFWCFTNUYXZYKE-UHFFFAOYSA-N
SMILES:
O=Cc1cnccc1NC(=O)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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