2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid

C17H13NO7 — CID 3506204

IUPAC2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2
InChIInChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)
InChIKeyVOKATEXROYSXDW-UHFFFAOYSA-N
MW343.29 g/mol
LogP1.82
Rot. Bonds6

About 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid

2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid (PubChem CID 3506204) has the molecular formula C17H13NO7 and a molecular weight of 343.29 g/mol. Its IUPAC name is 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid
PubChem CID3506204
Molecular FormulaC17H13NO7
Molecular Weight343.29 g/mol
Exact Mass343.07
IUPAC Name2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid
SMILESO=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2
InChIInChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22)
InChIKeyVOKATEXROYSXDW-UHFFFAOYSA-N
XLogP1.82
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
The IUPAC name of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid (CID 3506204) is 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
The canonical SMILES for 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid is O=C(O)COc1ccc2c(c1)C(=NO)c1cc(OCC(=O)O)ccc1-2.
What is the InChIKey of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
The InChIKey is VOKATEXROYSXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO7/c19-15(20)7-24-9-1-3-11-12-4-2-10(25-8-16(21)22)6-14(12)17(18-23)13(11)5-9/h1-6,23H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid?
2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid has a molecular weight of 343.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(carboxymethoxy)-9-hydroxyiminofluoren-2-yl]oxyacetic acid is sourced from PubChem (CID 3506204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).