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89110-84-9 | 1-Dodecyn-5-ol, 1-phenyl-
CAS No: 89110-84-9 Catalog No: AG003YFN MDL No:
Product Description
Catalog Number:
AG003YFN
Chemical Name:
1-Dodecyn-5-ol, 1-phenyl-
CAS Number:
89110-84-9
Molecular Formula:
C18H26O
Molecular Weight:
258.3984
IUPAC Name:
1-phenyldodec-1-yn-5-ol
InChI:
InChI=1S/C18H26O/c1-2-3-4-5-9-15-18(19)16-11-10-14-17-12-7-6-8-13-17/h6-8,12-13,18-19H,2-5,9,11,15-16H2,1H3
InChI Key:
IZWKACXOHUTXFL-UHFFFAOYSA-N
SMILES:
CCCCCCCC(CCC#Cc1ccccc1)O
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.198g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.405g/mol
Monoisotopic Mass:
258.198g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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