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Home > Pyridines > 552331-77-8
552331-77-8 | [4-Formyl-5-(4-methoxy-benzyloxy)-pyridin-3-yl]-carbamic acid tert-butyl ester
CAS No: 552331-77-8 Catalog No: AG00DK64 MDL No:MFCD19689416
Product Description
Catalog Number:
AG00DK64
Chemical Name:
[4-Formyl-5-(4-methoxy-benzyloxy)-pyridin-3-yl]-carbamic acid tert-butyl ester
CAS Number:
552331-77-8
Molecular Formula:
C19H22N2O5
Molecular Weight:
358.3884
MDL Number:
MFCD19689416
IUPAC Name:
tert-butyl N-[4-formyl-5-[(4-methoxyphenyl)methoxy]pyridin-3-yl]carbamate
InChI:
InChI=1S/C19H22N2O5/c1-19(2,3)26-18(23)21-16-9-20-10-17(15(16)11-22)25-12-13-5-7-14(24-4)8-6-13/h5-11H,12H2,1-4H3,(H,21,23)
InChI Key:
UKZDXFHJQAGTPE-UHFFFAOYSA-N
SMILES:
O=Cc1c(cncc1NC(=O)OC(C)(C)C)OCc1ccc(cc1)OC
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.153g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.394g/mol
Monoisotopic Mass:
358.153g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
86.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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