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143800-42-4 | 2-Oxazolidinone, 3-(1-oxo-2-propyn-1-yl)-
CAS No: 143800-42-4 Catalog No: AG001IE9 MDL No:
Product Description
Catalog Number:
AG001IE9
Chemical Name:
2-Oxazolidinone, 3-(1-oxo-2-propyn-1-yl)-
CAS Number:
143800-42-4
Molecular Formula:
C6H5NO3
Molecular Weight:
139.1088
IUPAC Name:
3-prop-2-ynoyl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C6H5NO3/c1-2-5(8)7-3-4-10-6(7)9/h1H,3-4H2
InChI Key:
ZBDAMJGPUBXAGN-UHFFFAOYSA-N
SMILES:
C1COC(=O)N1C(=O)C#C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.027g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.11g/mol
Monoisotopic Mass:
139.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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