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1192263-75-4 | 5-(benzyloxy)-2-(hydroxymethyl)-3-iodo-1,4-dihydropyridin-4-one
CAS No: 1192263-75-4 Catalog No: AG00IUU7 MDL No:MFCD13193076
Product Description
Catalog Number:
AG00IUU7
Chemical Name:
5-(benzyloxy)-2-(hydroxymethyl)-3-iodo-1,4-dihydropyridin-4-one
CAS Number:
1192263-75-4
Molecular Formula:
C13H12INO3
Molecular Weight:
357.1437
MDL Number:
MFCD13193076
IUPAC Name:
2-(hydroxymethyl)-3-iodo-5-phenylmethoxy-1H-pyridin-4-one
InChI:
InChI=1S/C13H12INO3/c14-12-10(7-16)15-6-11(13(12)17)18-8-9-4-2-1-3-5-9/h1-6,16H,7-8H2,(H,15,17)
InChI Key:
RLGVSLCYFXPQSD-UHFFFAOYSA-N
SMILES:
OCc1[nH]cc(c(=O)c1I)OCc1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.986g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
357.147g/mol
Monoisotopic Mass:
356.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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