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Home > Pyridines > 1337606-95-7
1337606-95-7 | (4-Formyl-6-methoxy-pyridin-3-yl)-carbamic acid tert-butyl ester
CAS No: 1337606-95-7 Catalog No: AG01ES8Q MDL No:
Product Description
Catalog Number:
AG01ES8Q
Chemical Name:
(4-Formyl-6-methoxy-pyridin-3-yl)-carbamic acid tert-butyl ester
CAS Number:
1337606-95-7
Molecular Formula:
C12H16N2O4
Molecular Weight:
252.2664
IUPAC Name:
tert-butyl N-(4-formyl-6-methoxypyridin-3-yl)carbamate
InChI:
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-9-6-13-10(17-4)5-8(9)7-15/h5-7H,1-4H3,(H,14,16)
InChI Key:
INEPSPSXWMJENA-UHFFFAOYSA-N
SMILES:
O=Cc1cc(OC)ncc1NC(=O)OC(C)(C)C
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.27g/mol
Monoisotopic Mass:
252.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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