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28917-71-7

28917-71-7 | 2-Propenoic acid, compd. with guanidine (1:1)

CAS No: 28917-71-7 Catalog No: AG002X2A MDL No:

Product Description

Catalog Number:
AG002X2A
Chemical Name:
2-Propenoic acid, compd. with guanidine (1:1)
CAS Number:
28917-71-7
Molecular Formula:
C4H9N3O2
Molecular Weight:
131.1332
IUPAC Name:
guanidine;prop-2-enoic acid
InChI:
InChI=1S/C3H4O2.CH5N3/c1-2-3(4)5;2-1(3)4/h2H,1H2,(H,4,5);(H5,2,3,4)
InChI Key:
YGIMMDQCECTCRF-UHFFFAOYSA-N
SMILES:
NC(=N)N.C=CC(=O)O
NSC Number:
52282

Properties

Complexity:
82.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.069g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
131.135g/mol
Monoisotopic Mass:
131.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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