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18913-31-0 | 2,3-Butadien-1-ol (6CI,8CI,9CI)
CAS No: 18913-31-0 Catalog No: AG002HXS MDL No:MFCD19704783
Product Description
Catalog Number:
AG002HXS
Chemical Name:
2,3-Butadien-1-ol (6CI,8CI,9CI)
CAS Number:
18913-31-0
Molecular Formula:
C4H6O
Molecular Weight:
70.0898
MDL Number:
MFCD19704783
IUPAC Name:
buta-2,3-dien-1-ol
InChI:
InChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2
InChI Key:
JXKCVRNKAPHWJG-UHFFFAOYSA-N
SMILES:
OCC=C=C
Properties
Complexity:
50.7
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
70.042g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
70.091g/mol
Monoisotopic Mass:
70.042g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and antiproliferative activity in vitro of novel (2-butynyl)thioquinolines. | Bioorganic & medicinal chemistry 20080901 |
| Synthesis and biological evaluation of 12 allenic aromatic ethers. | Bioorganic & medicinal chemistry letters 20070515 |
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