(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid

C7H7NO4 — CID 55250667

IUPAC(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid
SMILESO=C(O)C/C(=N/O)c1ccoc1
InChIInChI=1S/C7H7NO4/c9-7(10)3-6(8-11)5-1-2-12-4-5/h1-2,4,11H,3H2,(H,9,10)/b8-6-
InChIKeyFSQAVSHNIMEXIW-VURMDHGXSA-N
MW169.14 g/mol
LogP0.93
Rot. Bonds3

About (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid

(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid (PubChem CID 55250667) has the molecular formula C7H7NO4 and a molecular weight of 169.14 g/mol. Its IUPAC name is (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid.

Molecular Properties

Compound Name(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid
PubChem CID55250667
Molecular FormulaC7H7NO4
Molecular Weight169.14 g/mol
Exact Mass169.04
IUPAC Name(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid
SMILESO=C(O)C/C(=N/O)c1ccoc1
InChIInChI=1S/C7H7NO4/c9-7(10)3-6(8-11)5-1-2-12-4-5/h1-2,4,11H,3H2,(H,9,10)/b8-6-
InChIKeyFSQAVSHNIMEXIW-VURMDHGXSA-N
XLogP0.93
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid?
The IUPAC name of (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid (CID 55250667) is (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid.
What is the SMILES notation for (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid?
The canonical SMILES for (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid is O=C(O)C/C(=N/O)c1ccoc1.
What is the InChIKey of (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid?
The InChIKey is FSQAVSHNIMEXIW-VURMDHGXSA-N. The full InChI is InChI=1S/C7H7NO4/c9-7(10)3-6(8-11)5-1-2-12-4-5/h1-2,4,11H,3H2,(H,9,10)/b8-6-.
What are the key properties of (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid?
(3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid has a molecular weight of 169.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(furan-3-yl)-3-hydroxyiminopropanoic acid is sourced from PubChem (CID 55250667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).