Home Aminos ethyl 3-[(carbamoylimino)amino]but-2-enoate

ethyl 3-[(carbamoylimino)amino]but-2-enoate

CAS No.:
94127-05-6
Catalog Number:
AG019KNM
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
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Product Description
Catalog Number:
AG019KNM
Chemical Name:
ethyl 3-[(carbamoylimino)amino]but-2-enoate
CAS Number:
94127-05-6
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD10676765
IUPAC Name:
ethyl 3-(carbamoyldiazenyl)but-2-enoate
InChI:
InChI=1S/C7H11N3O3/c1-3-13-6(11)4-5(2)9-10-7(8)12/h4H,3H2,1-2H3,(H2,8,12)
InChI Key:
DZKJGHCQIBAZFI-UHFFFAOYSA-N
SMILES:
CC(=CC(=O)OCC)N=NC(=O)N
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
94.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
0.5  
Properties