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Home > Pyridines > 1138444-27-5
1138444-27-5 | Carbamic acid, N-[[4-[(hydroxyimino)methyl]-5-methoxy-3-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1138444-27-5 Catalog No: AG0009VI MDL No:MFCD27923846
Product Description
Catalog Number:
AG0009VI
Chemical Name:
Carbamic acid, N-[[4-[(hydroxyimino)methyl]-5-methoxy-3-pyridinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1138444-27-5
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD27923846
IUPAC Name:
tert-butyl N-[[4-[(Z)-hydroxyiminomethyl]-5-methoxypyridin-3-yl]methyl]carbamate
InChI:
InChI=1S/C13H19N3O4/c1-13(2,3)20-12(17)15-6-9-5-14-8-11(19-4)10(9)7-16-18/h5,7-8,18H,6H2,1-4H3,(H,15,17)/b16-7-
InChI Key:
IAGMVZRWLBZLLK-APSNUPSMSA-N
SMILES:
ON=Cc1c(cncc1OC)CNC(=O)OC(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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