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180526-11-8 | 3,6-Heptadiyn-1-ol
CAS No: 180526-11-8 Catalog No: AG002228 MDL No:
Product Description
Catalog Number:
AG002228
Chemical Name:
3,6-Heptadiyn-1-ol
CAS Number:
180526-11-8
Molecular Formula:
C7H8O
Molecular Weight:
108.1378
IUPAC Name:
hepta-3,6-diyn-1-ol
InChI:
InChI=1S/C7H8O/c1-2-3-4-5-6-7-8/h1,8H,3,6-7H2
InChI Key:
LJFMPEDCJRYBFO-UHFFFAOYSA-N
SMILES:
OCCC#CCC#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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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