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515130-59-3 | 5-(prop-2-yn-1-yl)imidazolidine-2,4-dione
CAS No: 515130-59-3 Catalog No: AG01BDUY MDL No:MFCD24234864
Product Description
Catalog Number:
AG01BDUY
Chemical Name:
5-(prop-2-yn-1-yl)imidazolidine-2,4-dione
CAS Number:
515130-59-3
Molecular Formula:
C6H6N2O2
Molecular Weight:
138.1240
MDL Number:
MFCD24234864
IUPAC Name:
5-prop-2-ynylimidazolidine-2,4-dione
InChI:
InChI=1S/C6H6N2O2/c1-2-3-4-5(9)8-6(10)7-4/h1,4H,3H2,(H2,7,8,9,10)
InChI Key:
DGBBEOKBIXFOPB-UHFFFAOYSA-N
SMILES:
C(C#C)C1NC(=O)NC1=O
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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