formaldehyde;phthalic acid

C17H14O9 — CID 174659618

IUPACformaldehyde;phthalic acid
SMILESC=O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/2C8H6O4.CH2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;1-2/h2*1-4H,(H,9,10)(H,11,12);1H2
InChIKeyNLCYCGSSISJFSJ-UHFFFAOYSA-N
MW362.29 g/mol
LogP1.98
Rot. Bonds4

About formaldehyde;phthalic acid

formaldehyde;phthalic acid (PubChem CID 174659618) has the molecular formula C17H14O9 and a molecular weight of 362.29 g/mol. Its IUPAC name is formaldehyde;phthalic acid.

Molecular Properties

Compound Nameformaldehyde;phthalic acid
PubChem CID174659618
Molecular FormulaC17H14O9
Molecular Weight362.29 g/mol
Exact Mass362.06
IUPAC Nameformaldehyde;phthalic acid
SMILESC=O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/2C8H6O4.CH2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;1-2/h2*1-4H,(H,9,10)(H,11,12);1H2
InChIKeyNLCYCGSSISJFSJ-UHFFFAOYSA-N
XLogP1.98
TPSA166.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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
azane;phthalic acid;hydrochloride
CID 175440203
magnesium;phthalic acid;dichloride
CID 22501626
2-(1-hydroxyethenyl)benzoic acid
CID 157143248

Frequently Asked Questions

What is the IUPAC name of formaldehyde;phthalic acid?
The IUPAC name of formaldehyde;phthalic acid (CID 174659618) is formaldehyde;phthalic acid.
What is the SMILES notation for formaldehyde;phthalic acid?
The canonical SMILES for formaldehyde;phthalic acid is C=O.O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of formaldehyde;phthalic acid?
The InChIKey is NLCYCGSSISJFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H6O4.CH2O/c2*9-7(10)5-3-1-2-4-6(5)8(11)12;1-2/h2*1-4H,(H,9,10)(H,11,12);1H2.
What are the key properties of formaldehyde;phthalic acid?
formaldehyde;phthalic acid has a molecular weight of 362.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phthalic acid is sourced from PubChem (CID 174659618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).