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20810-18-8 | 1-Nonyn-4-ol
CAS No: 20810-18-8 Catalog No: AG002JHS MDL No:
Product Description
Catalog Number:
AG002JHS
Chemical Name:
1-Nonyn-4-ol
CAS Number:
20810-18-8
Molecular Formula:
C9H16O
Molecular Weight:
140.2227
IUPAC Name:
non-1-yn-4-ol
InChI:
InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h2,9-10H,3,5-8H2,1H3
InChI Key:
DNHMBZFEOTWFKP-UHFFFAOYSA-N
SMILES:
CCCCCC(CC#C)O
Properties
Complexity:
109
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.12g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.226g/mol
Monoisotopic Mass:
140.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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