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138914-67-7 | 5-Hexen-2-ol, 3-phenoxy-2-[(phenylmethyl)amino]-
CAS No: 138914-67-7 Catalog No: AG0019U3 MDL No:
Product Description
Catalog Number:
AG0019U3
Chemical Name:
5-Hexen-2-ol, 3-phenoxy-2-[(phenylmethyl)amino]-
CAS Number:
138914-67-7
Molecular Formula:
C19H23NO2
Molecular Weight:
297.3914
IUPAC Name:
2-(benzylamino)-3-phenoxyhex-5-en-2-ol
InChI:
InChI=1S/C19H23NO2/c1-3-10-18(22-17-13-8-5-9-14-17)19(2,21)20-15-16-11-6-4-7-12-16/h3-9,11-14,18,20-21H,1,10,15H2,2H3
InChI Key:
GCMSQGZHISTNPL-UHFFFAOYSA-N
SMILES:
C=CCC(C(NCc1ccccc1)(O)C)Oc1ccccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.173g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.398g/mol
Monoisotopic Mass:
297.173g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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