3-hydroxybenzoic acid;hydrochloride

C7H7ClO3 — CID 118389750

IUPAC3-hydroxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(O)c1
InChIInChI=1S/C7H6O3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);1H
InChIKeySIKLCWVMLLKDLB-UHFFFAOYSA-N
MW174.58 g/mol
LogP1.51
Rot. Bonds1

About 3-hydroxybenzoic acid;hydrochloride

3-hydroxybenzoic acid;hydrochloride (PubChem CID 118389750) has the molecular formula C7H7ClO3 and a molecular weight of 174.58 g/mol. Its IUPAC name is 3-hydroxybenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-hydroxybenzoic acid;hydrochloride
PubChem CID118389750
Molecular FormulaC7H7ClO3
Molecular Weight174.58 g/mol
Exact Mass174.01
IUPAC Name3-hydroxybenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(O)c1
InChIInChI=1S/C7H6O3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);1H
InChIKeySIKLCWVMLLKDLB-UHFFFAOYSA-N
XLogP1.51
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.58
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzoic acid;hydrochloride?
The IUPAC name of 3-hydroxybenzoic acid;hydrochloride (CID 118389750) is 3-hydroxybenzoic acid;hydrochloride.
What is the SMILES notation for 3-hydroxybenzoic acid;hydrochloride?
The canonical SMILES for 3-hydroxybenzoic acid;hydrochloride is Cl.O=C(O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxybenzoic acid;hydrochloride?
The InChIKey is SIKLCWVMLLKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.ClH/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);1H.
What are the key properties of 3-hydroxybenzoic acid;hydrochloride?
3-hydroxybenzoic acid;hydrochloride has a molecular weight of 174.58 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzoic acid;hydrochloride is sourced from PubChem (CID 118389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).