(3-carboxy-2-hydroxyphenyl)azanium chloride

C7H8ClNO3 — CID 84820764

IUPAC(3-carboxy-2-hydroxyphenyl)azanium chloride
SMILES[Cl-].[NH3+]c1cccc(C(=O)O)c1O
InChIInChI=1S/C7H7NO3.ClH/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3,9H,8H2,(H,10,11);1H
InChIKeyXTUHHRQWNJCPGG-UHFFFAOYSA-N
MW189.60 g/mol
LogP-3.03
Rot. Bonds1

About (3-carboxy-2-hydroxyphenyl)azanium chloride

(3-carboxy-2-hydroxyphenyl)azanium chloride (PubChem CID 84820764) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is (3-carboxy-2-hydroxyphenyl)azanium chloride.

Molecular Properties

Compound Name(3-carboxy-2-hydroxyphenyl)azanium chloride
PubChem CID84820764
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name(3-carboxy-2-hydroxyphenyl)azanium chloride
SMILES[Cl-].[NH3+]c1cccc(C(=O)O)c1O
InChIInChI=1S/C7H7NO3.ClH/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3,9H,8H2,(H,10,11);1H
InChIKeyXTUHHRQWNJCPGG-UHFFFAOYSA-N
XLogP-3.03
TPSA85.17 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 5-3.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
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2-hydroxybenzoic acid;bis(yttrium)
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CID 22501626
calcium;2-hydroxybenzoic acid;dichloride
CID 174829097
2-hydroxy-3-phenylbenzoic acid;hydrate
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2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
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Frequently Asked Questions

What is the IUPAC name of (3-carboxy-2-hydroxyphenyl)azanium chloride?
The IUPAC name of (3-carboxy-2-hydroxyphenyl)azanium chloride (CID 84820764) is (3-carboxy-2-hydroxyphenyl)azanium chloride.
What is the SMILES notation for (3-carboxy-2-hydroxyphenyl)azanium chloride?
The canonical SMILES for (3-carboxy-2-hydroxyphenyl)azanium chloride is [Cl-].[NH3+]c1cccc(C(=O)O)c1O.
What is the InChIKey of (3-carboxy-2-hydroxyphenyl)azanium chloride?
The InChIKey is XTUHHRQWNJCPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.ClH/c8-5-3-1-2-4(6(5)9)7(10)11;/h1-3,9H,8H2,(H,10,11);1H.
What are the key properties of (3-carboxy-2-hydroxyphenyl)azanium chloride?
(3-carboxy-2-hydroxyphenyl)azanium chloride has a molecular weight of 189.60 g/mol, XLogP of -3.03, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-carboxy-2-hydroxyphenyl)azanium chloride is sourced from PubChem (CID 84820764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).