3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid

C11H10O6 — CID 173202004

IUPAC3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid
SMILESCO/C=C(\C(=O)O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C11H10O6/c1-17-5-8(11(15)16)6-3-2-4-7(9(6)12)10(13)14/h2-5,12H,1H3,(H,13,14)(H,15,16)/b8-5-
InChIKeyJEDZQRUNEYQXKF-YVMONPNESA-N
MW238.19 g/mol
LogP1.16
Rot. Bonds4

About 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid

3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid (PubChem CID 173202004) has the molecular formula C11H10O6 and a molecular weight of 238.19 g/mol. Its IUPAC name is 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid
PubChem CID173202004
Molecular FormulaC11H10O6
Molecular Weight238.19 g/mol
Exact Mass238.05
IUPAC Name3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid
SMILESCO/C=C(\C(=O)O)c1cccc(C(=O)O)c1O
InChIInChI=1S/C11H10O6/c1-17-5-8(11(15)16)6-3-2-4-7(9(6)12)10(13)14/h2-5,12H,1H3,(H,13,14)(H,15,16)/b8-5-
InChIKeyJEDZQRUNEYQXKF-YVMONPNESA-N
XLogP1.16
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid (CID 173202004) is 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid is CO/C=C(\C(=O)O)c1cccc(C(=O)O)c1O.
What is the InChIKey of 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid?
The InChIKey is JEDZQRUNEYQXKF-YVMONPNESA-N. The full InChI is InChI=1S/C11H10O6/c1-17-5-8(11(15)16)6-3-2-4-7(9(6)12)10(13)14/h2-5,12H,1H3,(H,13,14)(H,15,16)/b8-5-.
What are the key properties of 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid?
3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid has a molecular weight of 238.19 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1-carboxy-2-methoxyethenyl]-2-hydroxybenzoic acid is sourced from PubChem (CID 173202004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).