azane;carbonic acid;oxalic acid

C3H7NO7 — CID 174837249

IUPACazane;carbonic acid;oxalic acid
SMILESN.O=C(O)C(=O)O.O=C(O)O
InChIInChI=1S/C2H2O4.CH2O3.H3N/c3-1(4)2(5)6;2-1(3)4;/h(H,3,4)(H,5,6);(H2,2,3,4);1H3
InChIKeyRYXZLVYUAYTUHF-UHFFFAOYSA-N
MW169.09 g/mol
LogP-0.46
Rot. Bonds

About azane;carbonic acid;oxalic acid

azane;carbonic acid;oxalic acid (PubChem CID 174837249) has the molecular formula C3H7NO7 and a molecular weight of 169.09 g/mol. Its IUPAC name is azane;carbonic acid;oxalic acid.

Molecular Properties

Compound Nameazane;carbonic acid;oxalic acid
PubChem CID174837249
Molecular FormulaC3H7NO7
Molecular Weight169.09 g/mol
Exact Mass169.02
IUPAC Nameazane;carbonic acid;oxalic acid
SMILESN.O=C(O)C(=O)O.O=C(O)O
InChIInChI=1S/C2H2O4.CH2O3.H3N/c3-1(4)2(5)6;2-1(3)4;/h(H,3,4)(H,5,6);(H2,2,3,4);1H3
InChIKeyRYXZLVYUAYTUHF-UHFFFAOYSA-N
XLogP-0.46
TPSA167.13 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.09
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 170845858
CID 170845858
azane;carbonic acid
CID 173237446
azane;carbonic acid
CID 71309526
azane;azanide;cobalt;oxalic acid
CID 50897270
sodium;carbonic acid;hydride;oxalic acid
CID 175474397
oxalic acid;trihydrochloride
CID 140553783
oxalic acid;thorium
CID 25199595
magnesium oxalic acid
CID 54611841
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CID 72668728
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CID 174862963

Frequently Asked Questions

What is the IUPAC name of azane;carbonic acid;oxalic acid?
The IUPAC name of azane;carbonic acid;oxalic acid (CID 174837249) is azane;carbonic acid;oxalic acid.
What is the SMILES notation for azane;carbonic acid;oxalic acid?
The canonical SMILES for azane;carbonic acid;oxalic acid is N.O=C(O)C(=O)O.O=C(O)O.
What is the InChIKey of azane;carbonic acid;oxalic acid?
The InChIKey is RYXZLVYUAYTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.CH2O3.H3N/c3-1(4)2(5)6;2-1(3)4;/h(H,3,4)(H,5,6);(H2,2,3,4);1H3.
What are the key properties of azane;carbonic acid;oxalic acid?
azane;carbonic acid;oxalic acid has a molecular weight of 169.09 g/mol, XLogP of -0.46, 0 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbonic acid;oxalic acid is sourced from PubChem (CID 174837249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).