2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid

C14H10O8 — CID 2868785

IUPAC2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid
SMILESO=C(O)CC1OC(=O)c2cc3c(cc21)C(=O)OC3CC(=O)O
InChIInChI=1S/C14H10O8/c15-11(16)3-9-5-1-7-6(2-8(5)14(20)21-9)10(4-12(17)18)22-13(7)19/h1-2,9-10H,3-4H2,(H,15,16)(H,17,18)
InChIKeyIUKYJNCDSUILBM-UHFFFAOYSA-N
MW306.23 g/mol
LogP1.06
Rot. Bonds4

About 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid

2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid (PubChem CID 2868785) has the molecular formula C14H10O8 and a molecular weight of 306.23 g/mol. Its IUPAC name is 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid
PubChem CID2868785
Molecular FormulaC14H10O8
Molecular Weight306.23 g/mol
Exact Mass306.04
IUPAC Name2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid
SMILESO=C(O)CC1OC(=O)c2cc3c(cc21)C(=O)OC3CC(=O)O
InChIInChI=1S/C14H10O8/c15-11(16)3-9-5-1-7-6(2-8(5)14(20)21-9)10(4-12(17)18)22-13(7)19/h1-2,9-10H,3-4H2,(H,15,16)(H,17,18)
InChIKeyIUKYJNCDSUILBM-UHFFFAOYSA-N
XLogP1.06
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid?
The IUPAC name of 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid (CID 2868785) is 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid.
What is the SMILES notation for 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid?
The canonical SMILES for 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid is O=C(O)CC1OC(=O)c2cc3c(cc21)C(=O)OC3CC(=O)O.
What is the InChIKey of 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid?
The InChIKey is IUKYJNCDSUILBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O8/c15-11(16)3-9-5-1-7-6(2-8(5)14(20)21-9)10(4-12(17)18)22-13(7)19/h1-2,9-10H,3-4H2,(H,15,16)(H,17,18).
What are the key properties of 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid?
2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid has a molecular weight of 306.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(carboxymethyl)-3,7-dioxo-1,5-dihydrofuro[3,4-f][2]benzofuran-5-yl]acetic acid is sourced from PubChem (CID 2868785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).