CID 59994174

C12H8O3 — CID 59994174

IUPAC—
SMILES[CH]c1ccc2cc(O)c(C(=O)O)cc2c1
InChIInChI=1S/C12H8O3/c1-7-2-3-8-6-11(13)10(12(14)15)5-9(8)4-7/h1-6,13H,(H,14,15)
InChIKeyQKTZELLIHIVLNP-UHFFFAOYSA-N
MW200.19 g/mol
LogP2.30
Rot. Bonds1

About CID 59994174

CID 59994174 (PubChem CID 59994174) has the molecular formula C12H8O3 and a molecular weight of 200.19 g/mol.

Molecular Properties

Compound NameCID 59994174
PubChem CID59994174
Molecular FormulaC12H8O3
Molecular Weight200.19 g/mol
Exact Mass200.05
IUPAC Name—
SMILES[CH]c1ccc2cc(O)c(C(=O)O)cc2c1
InChIInChI=1S/C12H8O3/c1-7-2-3-8-6-11(13)10(12(14)15)5-9(8)4-7/h1-6,13H,(H,14,15)
InChIKeyQKTZELLIHIVLNP-UHFFFAOYSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
3-hydroxy-7-hydroxysulfanylnaphthalene-2-carboxylic acid
CID 142855010
CID 69256301
CID 69256301
3-hydroxy-7-prop-2-enylnaphthalene-2-carboxylic acid
CID 23558379
7-butoxy-3-hydroxynaphthalene-2-carboxylic acid
CID 20559604
CID 172784976
CID 172784976
3-hydroxy-7-pyrazol-1-ylnaphthalene-2-carboxylic acid
CID 121473603
7-(1,3-benzodioxol-5-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 59122812
3-(3,7-dihydroxynaphthalene-2-carbonyl)oxy-7-hydroxynaphthalene-2-carboxylic acid
CID 123164548
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 57489760
4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
CID 70359334

Frequently Asked Questions

What is the IUPAC name of CID 59994174?
The IUPAC name of CID 59994174 (CID 59994174) is not available.
What is the SMILES notation for CID 59994174?
The canonical SMILES for CID 59994174 is [CH]c1ccc2cc(O)c(C(=O)O)cc2c1.
What is the InChIKey of CID 59994174?
The InChIKey is QKTZELLIHIVLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O3/c1-7-2-3-8-6-11(13)10(12(14)15)5-9(8)4-7/h1-6,13H,(H,14,15).
What are the key properties of CID 59994174?
CID 59994174 has a molecular weight of 200.19 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59994174 is sourced from PubChem (CID 59994174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).