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114460-36-5 | 1-Propanone, 1-[3-(3-amino-2-hydroxypropoxy)phenyl]-3-phenyl-
CAS No: 114460-36-5 Catalog No: AG000EG6 MDL No:
Product Description
Catalog Number:
AG000EG6
Chemical Name:
1-Propanone, 1-[3-(3-amino-2-hydroxypropoxy)phenyl]-3-phenyl-
CAS Number:
114460-36-5
Molecular Formula:
C18H21NO3
Molecular Weight:
299.3642
IUPAC Name:
1-[3-(3-amino-2-hydroxypropoxy)phenyl]-3-phenylpropan-1-one
InChI:
InChI=1S/C18H21NO3/c19-12-16(20)13-22-17-8-4-7-15(11-17)18(21)10-9-14-5-2-1-3-6-14/h1-8,11,16,20H,9-10,12-13,19H2
InChI Key:
VJXGLZDHLHTOFV-UHFFFAOYSA-N
SMILES:
NCC(COc1cccc(c1)C(=O)CCc1ccccc1)O
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.37g/mol
Monoisotopic Mass:
299.152g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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