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125455-85-8 | Oxirane, 2-(3-butyn-1-yl)-
CAS No: 125455-85-8 Catalog No: AG000NPY MDL No:MFCD06660457
Product Description
Catalog Number:
AG000NPY
Chemical Name:
Oxirane, 2-(3-butyn-1-yl)-
CAS Number:
125455-85-8
Molecular Formula:
C6H8O
Molecular Weight:
96.1271
MDL Number:
MFCD06660457
IUPAC Name:
2-but-3-ynyloxirane
InChI:
InChI=1S/C6H8O/c1-2-3-4-6-5-7-6/h1,6H,3-5H2
InChI Key:
DLZKNEXLEIFZJI-UHFFFAOYSA-N
SMILES:
C#CCCC1CO1
Properties
Complexity:
98
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
96.058g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.129g/mol
Monoisotopic Mass:
96.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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