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84744-77-4

84744-77-4 | 1-Imidazolidinepropanoicacid, 2-imino-3-phosphono-

CAS No: 84744-77-4 Catalog No: AG004S9X MDL No:

Product Description

Catalog Number:
AG004S9X
Chemical Name:
1-Imidazolidinepropanoicacid, 2-imino-3-phosphono-
CAS Number:
84744-77-4
Molecular Formula:
C6H12N3O5P
Molecular Weight:
237.1503
IUPAC Name:
3-(2-imino-3-phosphonoimidazolidin-1-yl)propanoic acid
InChI:
InChI=1S/C6H12N3O5P/c7-6-8(2-1-5(10)11)3-4-9(6)15(12,13)14/h7H,1-4H2,(H,10,11)(H2,12,13,14)
InChI Key:
WRNVNPUKSMJQPN-UHFFFAOYSA-N
SMILES:
OC(=O)CCN1CCN(C1=N)P(=O)(O)O

Properties

Complexity:
327  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.051g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
237.152g/mol
Monoisotopic Mass:
237.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5  

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