4-hydroxybenzoic acid;4-nitrobenzoic acid

C14H11NO7 — CID 174864813

IUPAC4-hydroxybenzoic acid;4-nitrobenzoic acid
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4.C7H6O3/c9-7(10)5-1-3-6(4-2-5)8(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10);1-4,8H,(H,9,10)
InChIKeyOWZNHAPOOKRWJD-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.38
Rot. Bonds3

About 4-hydroxybenzoic acid;4-nitrobenzoic acid

4-hydroxybenzoic acid;4-nitrobenzoic acid (PubChem CID 174864813) has the molecular formula C14H11NO7 and a molecular weight of 305.24 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;4-nitrobenzoic acid.

Molecular Properties

Compound Name4-hydroxybenzoic acid;4-nitrobenzoic acid
PubChem CID174864813
Molecular FormulaC14H11NO7
Molecular Weight305.24 g/mol
Exact Mass305.05
IUPAC Name4-hydroxybenzoic acid;4-nitrobenzoic acid
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C7H5NO4.C7H6O3/c9-7(10)5-1-3-6(4-2-5)8(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10);1-4,8H,(H,9,10)
InChIKeyOWZNHAPOOKRWJD-UHFFFAOYSA-N
XLogP2.38
TPSA137.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cesium;hydride;4-nitrobenzoic acid
CID 174438488
4-nitrobenzoic acid;trimethylsilane
CID 175438853
4-nitrophenol
CID 88714583
4-nitrophenol;phosphane
CID 157153413
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-nitrophenol;propan-2-one
CID 18924338
4-(4-nitrobenzoyl)benzoic acid;trioxochromium
CID 174849994
calcium;hydride;4-nitrophenol
CID 173414286
4-hydroxy(11C)benzoic acid
CID 11275035
4-nitrobenzoic acid;2,2,2-trifluoroethanol
CID 71404405
3-ethylpentan-3-ol;4-nitrobenzoic acid
CID 71350734
4-hydroxybenzoic acid;silver
CID 88784168

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;4-nitrobenzoic acid?
The IUPAC name of 4-hydroxybenzoic acid;4-nitrobenzoic acid (CID 174864813) is 4-hydroxybenzoic acid;4-nitrobenzoic acid.
What is the SMILES notation for 4-hydroxybenzoic acid;4-nitrobenzoic acid?
The canonical SMILES for 4-hydroxybenzoic acid;4-nitrobenzoic acid is O=C(O)c1ccc(O)cc1.O=C(O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-hydroxybenzoic acid;4-nitrobenzoic acid?
The InChIKey is OWZNHAPOOKRWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO4.C7H6O3/c9-7(10)5-1-3-6(4-2-5)8(11)12;8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10);1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid;4-nitrobenzoic acid?
4-hydroxybenzoic acid;4-nitrobenzoic acid has a molecular weight of 305.24 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;4-nitrobenzoic acid is sourced from PubChem (CID 174864813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).