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76329-09-4 | 1-Octyn-4-ol, 4-(1-fluoroethenyl)-
CAS No: 76329-09-4 Catalog No: AG0056E3 MDL No:
Product Description
Catalog Number:
AG0056E3
Chemical Name:
1-Octyn-4-ol, 4-(1-fluoroethenyl)-
CAS Number:
76329-09-4
Molecular Formula:
C10H15FO
Molecular Weight:
170.2239
IUPAC Name:
4-(1-fluoroethenyl)oct-1-yn-4-ol
InChI:
InChI=1S/C10H15FO/c1-4-6-8-10(12,7-5-2)9(3)11/h2,12H,3-4,6-8H2,1H3
InChI Key:
MAOLRALCPNODQL-UHFFFAOYSA-N
SMILES:
CCCCC(C(=C)F)(CC#C)O
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.111g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.227g/mol
Monoisotopic Mass:
170.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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