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812653-99-9 | 4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)-
CAS No: 812653-99-9 Catalog No: AG004YQU MDL No:
Product Description
Catalog Number:
AG004YQU
Chemical Name:
4H-Pyran-4-one, 2-(aminomethyl)-6-methyl-3-(phenylmethoxy)-
CAS Number:
812653-99-9
Molecular Formula:
C14H15NO3
Molecular Weight:
245.2738
IUPAC Name:
2-(aminomethyl)-6-methyl-3-phenylmethoxypyran-4-one
InChI:
InChI=1S/C14H15NO3/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-7H,8-9,15H2,1H3
InChI Key:
KESMMQFLKNRPFE-UHFFFAOYSA-N
SMILES:
NCc1oc(C)cc(=O)c1OCc1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.278g/mol
Monoisotopic Mass:
245.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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