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1596863-12-5 | 3-(but-3-yn-2-yl)-1,3-oxazolidin-2-one
CAS No: 1596863-12-5 Catalog No: AG01BT5M MDL No:MFCD30086059
Product Description
Catalog Number:
AG01BT5M
Chemical Name:
3-(but-3-yn-2-yl)-1,3-oxazolidin-2-one
CAS Number:
1596863-12-5
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD30086059
IUPAC Name:
3-but-3-yn-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C7H9NO2/c1-3-6(2)8-4-5-10-7(8)9/h1,6H,4-5H2,2H3
InChI Key:
ULZXCKHWVWXNAL-UHFFFAOYSA-N
SMILES:
CC(C#C)N1CCOC1=O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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