formaldehyde;2-hydroxyimino-1-phenylethanone

C9H9NO3 — CID 174600728

IUPACformaldehyde;2-hydroxyimino-1-phenylethanone
SMILESC=O.O=C(C=NO)c1ccccc1
InChIInChI=1S/C8H7NO2.CH2O/c10-8(6-9-11)7-4-2-1-3-5-7;1-2/h1-6,11H;1H2
InChIKeyFIFISXUPQFHKNL-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.14
Rot. Bonds2

About formaldehyde;2-hydroxyimino-1-phenylethanone

formaldehyde;2-hydroxyimino-1-phenylethanone (PubChem CID 174600728) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is formaldehyde;2-hydroxyimino-1-phenylethanone.

Molecular Properties

Compound Nameformaldehyde;2-hydroxyimino-1-phenylethanone
PubChem CID174600728
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Nameformaldehyde;2-hydroxyimino-1-phenylethanone
SMILESC=O.O=C(C=NO)c1ccccc1
InChIInChI=1S/C8H7NO2.CH2O/c10-8(6-9-11)7-4-2-1-3-5-7;1-2/h1-6,11H;1H2
InChIKeyFIFISXUPQFHKNL-UHFFFAOYSA-N
XLogP1.14
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.14
H-Bond Donors ≤ 51
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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Related Compounds

azane;2-hydroxyimino-1-phenylethanone
CID 172864672
2-hydroxyimino-1-phenylethanone;quinoline
CID 161451163
(2Z)-1-(4-chlorophenyl)-2-hydroxyiminoethanone
CID 6399483
(2Z)-1-(4-bromophenyl)-2-hydroxyiminoethanone
CID 11356618
(2Z)-1-(3-bromophenyl)-2-hydroxyiminoethanone
CID 125475811
2-[4-(phenacylideneamino)butylimino]-1-phenylethanone
CID 102036935
2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
1-(4-ethylphenyl)-2-hydroxyiminoethanone
CID 140529170
(2E)-1-phenylhepta-2,6-dien-1-one
CID 12950359
phenacylidenetungsten
CID 139264471
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
CID 87742582

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-hydroxyimino-1-phenylethanone?
The IUPAC name of formaldehyde;2-hydroxyimino-1-phenylethanone (CID 174600728) is formaldehyde;2-hydroxyimino-1-phenylethanone.
What is the SMILES notation for formaldehyde;2-hydroxyimino-1-phenylethanone?
The canonical SMILES for formaldehyde;2-hydroxyimino-1-phenylethanone is C=O.O=C(C=NO)c1ccccc1.
What is the InChIKey of formaldehyde;2-hydroxyimino-1-phenylethanone?
The InChIKey is FIFISXUPQFHKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2.CH2O/c10-8(6-9-11)7-4-2-1-3-5-7;1-2/h1-6,11H;1H2.
What are the key properties of formaldehyde;2-hydroxyimino-1-phenylethanone?
formaldehyde;2-hydroxyimino-1-phenylethanone has a molecular weight of 179.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-hydroxyimino-1-phenylethanone is sourced from PubChem (CID 174600728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).