formic acid;phthalic acid

C17H14O10 — CID 159829564

IUPACformic acid;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=CO
InChIInChI=1S/2C8H6O4.CH2O2/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;2-1-3/h2*1-4H,(H,9,10)(H,11,12);1H,(H,2,3)
InChIKeyNNHBNIGRXQYSCT-UHFFFAOYSA-N
MW378.29 g/mol
LogP1.87
Rot. Bonds4

About formic acid;phthalic acid

formic acid;phthalic acid (PubChem CID 159829564) has the molecular formula C17H14O10 and a molecular weight of 378.29 g/mol. Its IUPAC name is formic acid;phthalic acid.

Molecular Properties

Compound Nameformic acid;phthalic acid
PubChem CID159829564
Molecular FormulaC17H14O10
Molecular Weight378.29 g/mol
Exact Mass378.06
IUPAC Nameformic acid;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=CO
InChIInChI=1S/2C8H6O4.CH2O2/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;2-1-3/h2*1-4H,(H,9,10)(H,11,12);1H,(H,2,3)
InChIKeyNNHBNIGRXQYSCT-UHFFFAOYSA-N
XLogP1.87
TPSA186.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
barium(2+);hydride;phthalic acid
CID 173000011
bis(oxygen(2-));phthalic acid;titanium(4+)
CID 161084506
hydride;phthalic acid;rubidium(1+)
CID 173256629
magnesium;hydride;phthalic acid
CID 173000994
dilithium;hydride;phthalic acid
CID 173011412
benzene-1,2,4,5-tetracarboxylic acid;phthalic acid
CID 174433443
formaldehyde;phthalic acid
CID 174659618
azane;phthalic acid;hydrochloride
CID 175440203
magnesium;phthalic acid;dichloride
CID 22501626

Frequently Asked Questions

What is the IUPAC name of formic acid;phthalic acid?
The IUPAC name of formic acid;phthalic acid (CID 159829564) is formic acid;phthalic acid.
What is the SMILES notation for formic acid;phthalic acid?
The canonical SMILES for formic acid;phthalic acid is O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.O=CO.
What is the InChIKey of formic acid;phthalic acid?
The InChIKey is NNHBNIGRXQYSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6O4.CH2O2/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;2-1-3/h2*1-4H,(H,9,10)(H,11,12);1H,(H,2,3).
What are the key properties of formic acid;phthalic acid?
formic acid;phthalic acid has a molecular weight of 378.29 g/mol, XLogP of 1.87, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;phthalic acid is sourced from PubChem (CID 159829564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).