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882067-64-3 | 4-Pentyn-2-ol, 5-phenyl-1-(2-propenyloxy)-
CAS No: 882067-64-3 Catalog No: AG004C1W MDL No:
Product Description
Catalog Number:
AG004C1W
Chemical Name:
4-Pentyn-2-ol, 5-phenyl-1-(2-propenyloxy)-
CAS Number:
882067-64-3
Molecular Formula:
C14H16O2
Molecular Weight:
216.2756
IUPAC Name:
5-phenyl-1-prop-2-enoxypent-4-yn-2-ol
InChI:
InChI=1S/C14H16O2/c1-2-11-16-12-14(15)10-6-9-13-7-4-3-5-8-13/h2-5,7-8,14-15H,1,10-12H2
InChI Key:
QWDOARATWXTVDE-UHFFFAOYSA-N
SMILES:
C=CCOCC(CC#Cc1ccccc1)O
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.115g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
216.28g/mol
Monoisotopic Mass:
216.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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