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836-73-7 | 3-PHENYLPROPOXYGUANIDINE MONONITRATE
CAS No: 836-73-7 Catalog No: AG0056GN MDL No:
Product Description
Catalog Number:
AG0056GN
Chemical Name:
3-PHENYLPROPOXYGUANIDINE MONONITRATE
CAS Number:
836-73-7
Molecular Formula:
C10H16N4O4
Molecular Weight:
256.2584
IUPAC Name:
nitric acid;2-(3-phenylpropoxy)guanidine
InChI:
InChI=1S/C10H15N3O.HNO3/c11-10(12)13-14-8-4-7-9-5-2-1-3-6-9;2-1(3)4/h1-3,5-6H,4,7-8H2,(H4,11,12,13);(H,2,3,4)
InChI Key:
DGETYXVFFJLUNY-UHFFFAOYSA-N
SMILES:
NC(=N)NOCCCc1ccccc1.[O-][N+](=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.262g/mol
Monoisotopic Mass:
256.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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