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Home > Pyridines > 1138444-22-0
1138444-22-0 | Carbamic acid, N-[(4-hydroxy-5-methoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1138444-22-0 Catalog No: AG0009VJ MDL No:MFCD11857694
Product Description
Catalog Number:
AG0009VJ
Chemical Name:
Carbamic acid, N-[(4-hydroxy-5-methoxy-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1138444-22-0
Molecular Formula:
C12H18N2O4
Molecular Weight:
254.2823
MDL Number:
MFCD11857694
IUPAC Name:
tert-butyl N-[(5-methoxy-4-oxo-1H-pyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C12H18N2O4/c1-12(2,3)18-11(16)14-6-8-5-13-7-9(17-4)10(8)15/h5,7H,6H2,1-4H3,(H,13,15)(H,14,16)
InChI Key:
JNVSXPXBEPDSHH-UHFFFAOYSA-N
SMILES:
COc1cncc(c1O)CNC(=O)OC(C)(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.286g/mol
Monoisotopic Mass:
254.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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