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89639-58-7 | 4,6-Heptadiyn-1-ol
CAS No: 89639-58-7 Catalog No: AG003WHX MDL No:
Product Description
Catalog Number:
AG003WHX
Chemical Name:
4,6-Heptadiyn-1-ol
CAS Number:
89639-58-7
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
hepta-4,6-diyn-1-ol
InChI:
InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h1,8H,5-7H2
InChI Key:
FLOAMRNSRRMWJD-UHFFFAOYSA-N
SMILES:
OCCCC#CC#C
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.058g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
108.14g/mol
Monoisotopic Mass:
108.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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