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19781-82-9 | Hept-5-yn-3-ol
CAS No: 19781-82-9 Catalog No: AG002B3K MDL No:MFCD00046680
Product Description
Catalog Number:
AG002B3K
Chemical Name:
Hept-5-yn-3-ol
CAS Number:
19781-82-9
Molecular Formula:
C7H12O
Molecular Weight:
112.1696
MDL Number:
MFCD00046680
IUPAC Name:
hept-5-yn-3-ol
InChI:
InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h7-8H,4,6H2,1-2H3
InChI Key:
VOHBMHAELZLACG-UHFFFAOYSA-N
SMILES:
CCC(CC#CC)O
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.089g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
112.172g/mol
Monoisotopic Mass:
112.089g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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