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828247-86-5 | Benzamide, N-[(1S,2S)-2-hydroxy-1-(methoxymethyl)-2-phenylethyl]-
CAS No: 828247-86-5 Catalog No: AG005690 MDL No:
Product Description
Catalog Number:
AG005690
Chemical Name:
Benzamide, N-[(1S,2S)-2-hydroxy-1-(methoxymethyl)-2-phenylethyl]-
CAS Number:
828247-86-5
Molecular Formula:
C17H19NO3
Molecular Weight:
285.3377
IUPAC Name:
N-[(1S,2S)-1-hydroxy-3-methoxy-1-phenylpropan-2-yl]benzamide
InChI:
InChI=1S/C17H19NO3/c1-21-12-15(16(19)13-8-4-2-5-9-13)18-17(20)14-10-6-3-7-11-14/h2-11,15-16,19H,12H2,1H3,(H,18,20)/t15-,16-/m0/s1
InChI Key:
JIEKZHGGBRBUIG-HOTGVXAUSA-N
SMILES:
COC[C@@H]([C@H](c1ccccc1)O)NC(=O)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
285.136g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
285.343g/mol
Monoisotopic Mass:
285.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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