ethane;3-(methylideneamino)oxybenzoic acid

C10H13NO3 — CID 144619463

IUPACethane;3-(methylideneamino)oxybenzoic acid
SMILESC=NOc1cccc(C(=O)O)c1.CC
InChIInChI=1S/C8H7NO3.C2H6/c1-9-12-7-4-2-3-6(5-7)8(10)11;1-2/h2-5H,1H2,(H,10,11);1-2H3
InChIKeyOWJAHGHRKCQSHD-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.41
Rot. Bonds3

About ethane;3-(methylideneamino)oxybenzoic acid

ethane;3-(methylideneamino)oxybenzoic acid (PubChem CID 144619463) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethane;3-(methylideneamino)oxybenzoic acid.

Molecular Properties

Compound Nameethane;3-(methylideneamino)oxybenzoic acid
PubChem CID144619463
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethane;3-(methylideneamino)oxybenzoic acid
SMILESC=NOc1cccc(C(=O)O)c1.CC
InChIInChI=1S/C8H7NO3.C2H6/c1-9-12-7-4-2-3-6(5-7)8(10)11;1-2/h2-5H,1H2,(H,10,11);1-2H3
InChIKeyOWJAHGHRKCQSHD-UHFFFAOYSA-N
XLogP2.41
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.41
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

3-[(E)-benzylideneamino]oxybenzoic acid
CID 11333939
benzene-1,3-dicarboxylic acid;formaldehyde
CID 159467147
3-[4-(3-carboxyphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 70550616
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
2-[(Z)-N-hydroxy-C-(3-methoxyphenyl)carbonimidoyl]pyridine-4-carboxylic acid
CID 137246226
3-iodosulfanyloxybenzoic acid
CID 143814141
3-[2-[bis[2-(3-carboxyphenoxy)ethyl]amino]ethoxy]benzoic acid
CID 86096219
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;titanium
CID 87166459
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535
CID 175726263
CID 175726263
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729

Frequently Asked Questions

What is the IUPAC name of ethane;3-(methylideneamino)oxybenzoic acid?
The IUPAC name of ethane;3-(methylideneamino)oxybenzoic acid (CID 144619463) is ethane;3-(methylideneamino)oxybenzoic acid.
What is the SMILES notation for ethane;3-(methylideneamino)oxybenzoic acid?
The canonical SMILES for ethane;3-(methylideneamino)oxybenzoic acid is C=NOc1cccc(C(=O)O)c1.CC.
What is the InChIKey of ethane;3-(methylideneamino)oxybenzoic acid?
The InChIKey is OWJAHGHRKCQSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.C2H6/c1-9-12-7-4-2-3-6(5-7)8(10)11;1-2/h2-5H,1H2,(H,10,11);1-2H3.
What are the key properties of ethane;3-(methylideneamino)oxybenzoic acid?
ethane;3-(methylideneamino)oxybenzoic acid has a molecular weight of 195.22 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(methylideneamino)oxybenzoic acid is sourced from PubChem (CID 144619463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).