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30353-46-9 | 2,4-Pentadiyn-1-ol, 5-phenyl-
CAS No: 30353-46-9 Catalog No: AG002ZTL MDL No:
Product Description
Catalog Number:
AG002ZTL
Chemical Name:
2,4-Pentadiyn-1-ol, 5-phenyl-
CAS Number:
30353-46-9
Molecular Formula:
C11H8O
Molecular Weight:
156.1806
IUPAC Name:
5-phenylpenta-2,4-diyn-1-ol
InChI:
InChI=1S/C11H8O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8,12H,10H2
InChI Key:
SRVFKAOSEFBVKA-UHFFFAOYSA-N
SMILES:
OCC#CC#Cc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.058g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.184g/mol
Monoisotopic Mass:
156.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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