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Home > Pyridines > 116026-95-0
116026-95-0 | Carbamic acid, N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS No: 116026-95-0 Catalog No: AG000BFH MDL No:MFCD02683209
Product Description
Catalog Number:
AG000BFH
Chemical Name:
Carbamic acid, N-(4-formyl-3-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
116026-95-0
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD02683209
IUPAC Name:
tert-butyl N-(4-formylpyridin-3-yl)carbamate
InChI:
InChI=1S/C11H14N2O3/c1-11(2,3)16-10(15)13-9-6-12-5-4-8(9)7-14/h4-7H,1-3H3,(H,13,15)
InChI Key:
YLKONQAWPOHLPX-UHFFFAOYSA-N
SMILES:
O=Cc1ccncc1NC(=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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