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20739-59-7 | 4-HEXYN-3-OL
CAS No: 20739-59-7 Catalog No: AG002J1B MDL No:
Product Description
Catalog Number:
AG002J1B
Chemical Name:
4-HEXYN-3-OL
CAS Number:
20739-59-7
Molecular Formula:
C6H10O
Molecular Weight:
98.1430
IUPAC Name:
hex-4-yn-3-ol
InChI:
InChI=1S/C6H10O/c1-3-5-6(7)4-2/h6-7H,4H2,1-2H3
InChI Key:
KARLLBDFLHNKBO-UHFFFAOYSA-N
SMILES:
CCC(C#CC)O
Properties
Complexity:
93.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
98.073g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
98.145g/mol
Monoisotopic Mass:
98.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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