2-methanehydrazonoyloxybenzoic acid

C8H8N2O3 — CID 70116086

IUPAC2-methanehydrazonoyloxybenzoic acid
SMILESNN=COc1ccccc1C(=O)O
InChIInChI=1S/C8H8N2O3/c9-10-5-13-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2,(H,11,12)
InChIKeyQCOWXYNOLLGHNS-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.67
Rot. Bonds3

About 2-methanehydrazonoyloxybenzoic acid

2-methanehydrazonoyloxybenzoic acid (PubChem CID 70116086) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-methanehydrazonoyloxybenzoic acid.

Molecular Properties

Compound Name2-methanehydrazonoyloxybenzoic acid
PubChem CID70116086
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-methanehydrazonoyloxybenzoic acid
SMILESNN=COc1ccccc1C(=O)O
InChIInChI=1S/C8H8N2O3/c9-10-5-13-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2,(H,11,12)
InChIKeyQCOWXYNOLLGHNS-UHFFFAOYSA-N
XLogP0.67
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-methanehydrazonoyloxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylethenoxy)benzoic acid
CID 67839973
2-sulfooxybenzoic acid;sulfuric acid
CID 68615389
formic acid;2-sulfooxybenzoic acid
CID 175322032
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-fluorosulfonyloxybenzoic acid
CID 130224552
2-ethenylsulfonyloxybenzoic acid
CID 90205575
nitrous acid;2-phosphanyloxybenzoic acid
CID 174720888
2-phosphorosooxybenzoic acid
CID 69277449
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
2-chlorooxybenzoic acid;dimethyl carbonate
CID 174925399
benzoic acid;2-phenoxybenzoic acid
CID 160712085

Frequently Asked Questions

What is the IUPAC name of 2-methanehydrazonoyloxybenzoic acid?
The IUPAC name of 2-methanehydrazonoyloxybenzoic acid (CID 70116086) is 2-methanehydrazonoyloxybenzoic acid.
What is the SMILES notation for 2-methanehydrazonoyloxybenzoic acid?
The canonical SMILES for 2-methanehydrazonoyloxybenzoic acid is NN=COc1ccccc1C(=O)O.
What is the InChIKey of 2-methanehydrazonoyloxybenzoic acid?
The InChIKey is QCOWXYNOLLGHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-10-5-13-7-4-2-1-3-6(7)8(11)12/h1-5H,9H2,(H,11,12).
What are the key properties of 2-methanehydrazonoyloxybenzoic acid?
2-methanehydrazonoyloxybenzoic acid has a molecular weight of 180.16 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanehydrazonoyloxybenzoic acid is sourced from PubChem (CID 70116086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).