carbonic acid; guanidine

• ChemBase ID: 180019
• Molecular Formular: C2H7N3O3
• Molecular Mass: 121.09528
• Monoisotopic Mass: 121.0487411
• SMILES: NC(=N)N.C(=O)(O)O
• Canonical SMILES: NC(=N)N.OC(=O)O
• InChI: InChI=1S/CH5N3.CH2O3/c2*2-1(3)4/h(H5,2,3,4);(H2,2,3,4)
• InChIKey: KMSRVXJGTIRNNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: carbonic acid; guanidine
• IUPAC Traditional name: guanidine; soda
• Synonyms: Guanidine carbonate

Database IDs

• CAS Number: 593-85-1
• PubChem SID: 164235929
• PubChem CID: 286947

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.6522877
• LogD (pH = 7.4): -3.6514976
• Log P: -1.236839
• Molar Refractivity: 25.8588 cm^3
• Polarizability: 5.61125 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true