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235763-33-4 | 4-Heptanone, 2-amino-3-hydroxy-1-phenyl-7-(2-pyridinyloxy)-
CAS No: 235763-33-4 Catalog No: AG002NQ3 MDL No:
Product Description
Catalog Number:
AG002NQ3
Chemical Name:
4-Heptanone, 2-amino-3-hydroxy-1-phenyl-7-(2-pyridinyloxy)-
CAS Number:
235763-33-4
Molecular Formula:
C18H22N2O3
Molecular Weight:
314.3789
IUPAC Name:
2-amino-3-hydroxy-1-phenyl-7-pyridin-2-yloxyheptan-4-one
InChI:
InChI=1S/C18H22N2O3/c19-15(13-14-7-2-1-3-8-14)18(22)16(21)9-6-12-23-17-10-4-5-11-20-17/h1-5,7-8,10-11,15,18,22H,6,9,12-13,19H2
InChI Key:
RGAQHFURJIAYJC-UHFFFAOYSA-N
SMILES:
O=C(C(C(Cc1ccccc1)N)O)CCCOc1ccccn1
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.163g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.385g/mol
Monoisotopic Mass:
314.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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