formaldehyde;phenol;2-sulfoacetic acid

C9H12O7S — CID 174595329

IUPACformaldehyde;phenol;2-sulfoacetic acid
SMILESC=O.O=C(O)CS(=O)(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O5S.CH2O/c7-6-4-2-1-3-5-6;3-2(4)1-8(5,6)7;1-2/h1-5,7H;1H2,(H,3,4)(H,5,6,7);1H2
InChIKeyHLYYMXPEPKJTNZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.17
Rot. Bonds2

About formaldehyde;phenol;2-sulfoacetic acid

formaldehyde;phenol;2-sulfoacetic acid (PubChem CID 174595329) has the molecular formula C9H12O7S and a molecular weight of 264.25 g/mol. Its IUPAC name is formaldehyde;phenol;2-sulfoacetic acid.

Molecular Properties

Compound Nameformaldehyde;phenol;2-sulfoacetic acid
PubChem CID174595329
Molecular FormulaC9H12O7S
Molecular Weight264.25 g/mol
Exact Mass264.03
IUPAC Nameformaldehyde;phenol;2-sulfoacetic acid
SMILESC=O.O=C(O)CS(=O)(=O)O.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H4O5S.CH2O/c7-6-4-2-1-3-5-6;3-2(4)1-8(5,6)7;1-2/h1-5,7H;1H2,(H,3,4)(H,5,6,7);1H2
InChIKeyHLYYMXPEPKJTNZ-UHFFFAOYSA-N
XLogP0.17
TPSA128.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze formaldehyde;phenol;2-sulfoacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene;formaldehyde;phenol;hydrate
CID 174789223
azane;2-sulfoacetic acid
CID 131882326
phenol;sulfamic acid
CID 20568806
ethane;2-sulfoacetic acid
CID 87201731
disodium;hydride;2-sulfoacetic acid
CID 173199775
ethane-1,2-diamine;phenol;sulfuric acid
CID 70504125
formaldehyde;molybdenum;phenol;urea
CID 174825224
formonitrile;phenol;sulfuric acid
CID 174705833
1-chloropropan-2-one;phenol;sulfuric acid
CID 19695104
CID 11441475
CID 11441475
pentanedioic acid;phenol
CID 160999244
2-(phenylsulfonimidoyl)acetic acid
CID 87165039

Frequently Asked Questions

What is the IUPAC name of formaldehyde;phenol;2-sulfoacetic acid?
The IUPAC name of formaldehyde;phenol;2-sulfoacetic acid (CID 174595329) is formaldehyde;phenol;2-sulfoacetic acid.
What is the SMILES notation for formaldehyde;phenol;2-sulfoacetic acid?
The canonical SMILES for formaldehyde;phenol;2-sulfoacetic acid is C=O.O=C(O)CS(=O)(=O)O.Oc1ccccc1.
What is the InChIKey of formaldehyde;phenol;2-sulfoacetic acid?
The InChIKey is HLYYMXPEPKJTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H4O5S.CH2O/c7-6-4-2-1-3-5-6;3-2(4)1-8(5,6)7;1-2/h1-5,7H;1H2,(H,3,4)(H,5,6,7);1H2.
What are the key properties of formaldehyde;phenol;2-sulfoacetic acid?
formaldehyde;phenol;2-sulfoacetic acid has a molecular weight of 264.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;phenol;2-sulfoacetic acid is sourced from PubChem (CID 174595329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).