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84100-18-5 | 3-Butyn-1-ol,2-methylene-
CAS No: 84100-18-5 Catalog No: AG004ST8 MDL No:
Product Description
Catalog Number:
AG004ST8
Chemical Name:
3-Butyn-1-ol,2-methylene-
CAS Number:
84100-18-5
Molecular Formula:
C5H6O
Molecular Weight:
82.1005
IUPAC Name:
2-methylidenebut-3-yn-1-ol
InChI:
InChI=1S/C5H6O/c1-3-5(2)4-6/h1,6H,2,4H2
InChI Key:
YRYSPWUYQBDGOD-UHFFFAOYSA-N
SMILES:
OCC(=C)C#C
EC Number:
282-100-6
Properties
Complexity:
93.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.042g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
82.102g/mol
Monoisotopic Mass:
82.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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