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823221-74-5 | 1,2-Propanediol, 3-[(4-phenoxyphenyl)amino]-
CAS No: 823221-74-5 Catalog No: AG005EGJ MDL No:
Product Description
Catalog Number:
AG005EGJ
Chemical Name:
1,2-Propanediol, 3-[(4-phenoxyphenyl)amino]-
CAS Number:
823221-74-5
Molecular Formula:
C15H17NO3
Molecular Weight:
259.3004
IUPAC Name:
3-(4-phenoxyanilino)propane-1,2-diol
InChI:
InChI=1S/C15H17NO3/c17-11-13(18)10-16-12-6-8-15(9-7-12)19-14-4-2-1-3-5-14/h1-9,13,16-18H,10-11H2
InChI Key:
XRVPHFJOTMRFJR-UHFFFAOYSA-N
SMILES:
OCC(CNc1ccc(cc1)Oc1ccccc1)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.121g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
259.305g/mol
Monoisotopic Mass:
259.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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