(2E)-2-phenylmethoxyiminoacetic acid

C9H9NO3 — CID 13210058

IUPAC(2E)-2-phenylmethoxyiminoacetic acid
SMILESO=C(O)/C=N/OCc1ccccc1
InChIInChI=1S/C9H9NO3/c11-9(12)6-10-13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)/b10-6+
InChIKeyRLNKZSXNEFJASD-UXBLZVDNSA-N
MW179.17 g/mol
LogP1.27
Rot. Bonds4

About (2E)-2-phenylmethoxyiminoacetic acid

(2E)-2-phenylmethoxyiminoacetic acid (PubChem CID 13210058) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is (2E)-2-phenylmethoxyiminoacetic acid.

Molecular Properties

Compound Name(2E)-2-phenylmethoxyiminoacetic acid
PubChem CID13210058
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Name(2E)-2-phenylmethoxyiminoacetic acid
SMILESO=C(O)/C=N/OCc1ccccc1
InChIInChI=1S/C9H9NO3/c11-9(12)6-10-13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)/b10-6+
InChIKeyRLNKZSXNEFJASD-UXBLZVDNSA-N
XLogP1.27
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzyl diazoacetate
CID 53945932
Glycine, N-(phenylmethoxy)-
CID 322231
N-phenylmethoxymethanimine
CID 561610
Pentanal O-benzyloxime
CID 9602269
methyl (2E)-2-phenylmethoxyiminoacetate
CID 11106217
2-[Fluoro(phenyl)methoxy]iminoacetaldehyde
CID 91156465
tert-butyl (2E)-2-phenylmethoxyiminoacetate
CID 11009921
ethyl (2E)-2-phenylmethoxyiminoacetate
CID 24744406
(E)-N-phenylmethoxyethanimine
CID 11019027
(E)-N-phenylmethoxypropan-1-imine
CID 11789542
(2E)-2-hydroxyimino-1-phenylethanol
CID 13332651
(2E)-2-[(benzyloxy)imino]acetic acid
CID 51894610

Frequently Asked Questions

What is the IUPAC name of (2E)-2-phenylmethoxyiminoacetic acid?
The IUPAC name of (2E)-2-phenylmethoxyiminoacetic acid (CID 13210058) is (2E)-2-phenylmethoxyiminoacetic acid.
What is the SMILES notation for (2E)-2-phenylmethoxyiminoacetic acid?
The canonical SMILES for (2E)-2-phenylmethoxyiminoacetic acid is O=C(O)/C=N/OCc1ccccc1.
What is the InChIKey of (2E)-2-phenylmethoxyiminoacetic acid?
The InChIKey is RLNKZSXNEFJASD-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H9NO3/c11-9(12)6-10-13-7-8-4-2-1-3-5-8/h1-6H,7H2,(H,11,12)/b10-6+.
What are the key properties of (2E)-2-phenylmethoxyiminoacetic acid?
(2E)-2-phenylmethoxyiminoacetic acid has a molecular weight of 179.17 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenylmethoxyiminoacetic acid is sourced from PubChem (CID 13210058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).