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825628-40-8 | 2-Propen-1-ol, 3-[(1-phenyl-2-heptynyl)oxy]-
CAS No: 825628-40-8 Catalog No: AG005DQR MDL No:
Product Description
Catalog Number:
AG005DQR
Chemical Name:
2-Propen-1-ol, 3-[(1-phenyl-2-heptynyl)oxy]-
CAS Number:
825628-40-8
Molecular Formula:
C16H20O2
Molecular Weight:
244.3288
IUPAC Name:
3-(1-phenylhept-2-ynoxy)prop-2-en-1-ol
InChI:
InChI=1S/C16H20O2/c1-2-3-4-8-12-16(18-14-9-13-17)15-10-6-5-7-11-15/h5-7,9-11,14,16-17H,2-4,13H2,1H3
InChI Key:
AFQZZEWGSBNQBG-UHFFFAOYSA-N
SMILES:
CCCCC#CC(c1ccccc1)OC=CCO
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.146g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.334g/mol
Monoisotopic Mass:
244.146g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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