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6974-17-0 | 4-butyl-2,5-dioxo-imidazolidine-4-carbaldehyde
CAS No: 6974-17-0 Catalog No: AG005UAL MDL No:
Product Description
Catalog Number:
AG005UAL
Chemical Name:
4-butyl-2,5-dioxo-imidazolidine-4-carbaldehyde
CAS Number:
6974-17-0
Molecular Formula:
C8H12N2O3
Molecular Weight:
184.1925
IUPAC Name:
4-butyl-2,5-dioxoimidazolidine-4-carbaldehyde
InChI:
InChI=1S/C8H12N2O3/c1-2-3-4-8(5-11)6(12)9-7(13)10-8/h5H,2-4H2,1H3,(H2,9,10,12,13)
InChI Key:
NIEJUAWTRIVLJF-UHFFFAOYSA-N
SMILES:
CCCCC1(C=O)NC(=O)NC1=O
NSC Number:
23140
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.195g/mol
Monoisotopic Mass:
184.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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