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99419-03-1 | 3-CYANOPROPIONALDEHYDE SEMICARBAZONE
CAS No: 99419-03-1 Catalog No: AG006O8D MDL No:MFCD00154833
Product Description
Catalog Number:
AG006O8D
Chemical Name:
3-CYANOPROPIONALDEHYDE SEMICARBAZONE
CAS Number:
99419-03-1
Molecular Formula:
C5H8N4O
Molecular Weight:
140.1432
MDL Number:
MFCD00154833
IUPAC Name:
(3-cyanopropylideneamino)urea
InChI:
InChI=1S/C5H8N4O/c6-3-1-2-4-8-9-5(7)10/h4H,1-2H2,(H3,7,9,10)
InChI Key:
RODWXKXEXHQPJX-UHFFFAOYSA-N
SMILES:
NC(=O)NN=CCCC#N
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.07g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
140.146g/mol
Monoisotopic Mass:
140.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
-1.4
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