CID 172995547

C2H7AlNO3 — CID 172995547

IUPAC—
SMILESNCC(=O)O[AlH].O
InChIInChI=1S/C2H5NO2.Al.H2O.H/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;1H2;/q;+1;;/p-1
InChIKeyNMKMIEGYJXJROR-UHFFFAOYSA-M
MW120.06 g/mol
LogP-2.52
Rot. Bonds1

About CID 172995547

CID 172995547 (PubChem CID 172995547) has the molecular formula C2H7AlNO3 and a molecular weight of 120.06 g/mol.

Molecular Properties

Compound NameCID 172995547
PubChem CID172995547
Molecular FormulaC2H7AlNO3
Molecular Weight120.06 g/mol
Exact Mass120.02
IUPAC Name—
SMILESNCC(=O)O[AlH].O
InChIInChI=1S/C2H5NO2.Al.H2O.H/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;1H2;/q;+1;;/p-1
InChIKeyNMKMIEGYJXJROR-UHFFFAOYSA-M
XLogP-2.52
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.06
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 172995547?
The IUPAC name of CID 172995547 (CID 172995547) is not available.
What is the SMILES notation for CID 172995547?
The canonical SMILES for CID 172995547 is NCC(=O)O[AlH].O.
What is the InChIKey of CID 172995547?
The InChIKey is NMKMIEGYJXJROR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H5NO2.Al.H2O.H/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;1H2;/q;+1;;/p-1.
What are the key properties of CID 172995547?
CID 172995547 has a molecular weight of 120.06 g/mol, XLogP of -2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172995547 is sourced from PubChem (CID 172995547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).