200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 858599-23-2
858599-23-2 | (6-ACETYLPYRIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER
CAS No: 858599-23-2 Catalog No: AG01DSIH MDL No:MFCD13190068
Product Description
Catalog Number:
AG01DSIH
Chemical Name:
(6-ACETYLPYRIDIN-3-YL)CARBAMIC ACID TERT-BUTYL ESTER
CAS Number:
858599-23-2
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD13190068
IUPAC Name:
tert-butyl N-(6-acetylpyridin-3-yl)carbamate
InChI:
InChI=1S/C12H16N2O3/c1-8(15)10-6-5-9(7-13-10)14-11(16)17-12(2,3)4/h5-7H,1-4H3,(H,14,16)
InChI Key:
ODJIEHOBOFHMEY-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(nc1)C(=O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.