CID 135037910

C10H8O4 — CID 135037910

IUPAC—
SMILESCOC1=CC(/C=C/C(=O)O)=C[C]C1=O
InChIInChI=1S/C10H8O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-3,5-6H,1H3,(H,12,13)/b5-3+
InChIKeyLGAGVJMBUALSTO-HWKANZROSA-N
MW192.17 g/mol
LogP0.75
Rot. Bonds3

About CID 135037910

CID 135037910 (PubChem CID 135037910) has the molecular formula C10H8O4 and a molecular weight of 192.17 g/mol.

Molecular Properties

Compound NameCID 135037910
PubChem CID135037910
Molecular FormulaC10H8O4
Molecular Weight192.17 g/mol
Exact Mass192.04
IUPAC Name—
SMILESCOC1=CC(/C=C/C(=O)O)=C[C]C1=O
InChIInChI=1S/C10H8O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-3,5-6H,1H3,(H,12,13)/b5-3+
InChIKeyLGAGVJMBUALSTO-HWKANZROSA-N
XLogP0.75
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 135037910?
The IUPAC name of CID 135037910 (CID 135037910) is not available.
What is the SMILES notation for CID 135037910?
The canonical SMILES for CID 135037910 is COC1=CC(/C=C/C(=O)O)=C[C]C1=O.
What is the InChIKey of CID 135037910?
The InChIKey is LGAGVJMBUALSTO-HWKANZROSA-N. The full InChI is InChI=1S/C10H8O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-3,5-6H,1H3,(H,12,13)/b5-3+.
What are the key properties of CID 135037910?
CID 135037910 has a molecular weight of 192.17 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135037910 is sourced from PubChem (CID 135037910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).