5-methoxycarbonylfuran-2-carboxylic acid

C7H6O5 — CID 11435181

IUPAC5-methoxycarbonylfuran-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C7H6O5/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKeyAETGYSUEDWYSME-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.76
Rot. Bonds2

About 5-methoxycarbonylfuran-2-carboxylic acid

5-methoxycarbonylfuran-2-carboxylic acid (PubChem CID 11435181) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 5-methoxycarbonylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxycarbonylfuran-2-carboxylic acid
PubChem CID11435181
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name5-methoxycarbonylfuran-2-carboxylic acid
SMILESCOC(=O)c1ccc(C(=O)O)o1
InChIInChI=1S/C7H6O5/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKeyAETGYSUEDWYSME-UHFFFAOYSA-N
XLogP0.76
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
furan-2,5-dicarboxylic acid;indigane
CID 174700126
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
carbon dioxide;furan-2,5-dicarboxylic acid
CID 174931528
(5-methoxycarbonylfuran-2-yl)methanetriolate
CID 59286378
methyl 5-(4-hydroxybut-2-en-2-yl)furan-2-carboxylate
CID 163195882
methyl 5-(3,5-dimethylbenzoyl)furan-2-carboxylate
CID 21387630
methyl 5-methylsulfinylfuran-2-carboxylate
CID 163367642
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[2-[(2-methylpropan-2-yl)oxy]acetyl]furan-2-carboxylate
CID 106946577
methyl 5-(3-methoxy-3-methylbutanoyl)furan-2-carboxylate
CID 106946556
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043

Frequently Asked Questions

What is the IUPAC name of 5-methoxycarbonylfuran-2-carboxylic acid?
The IUPAC name of 5-methoxycarbonylfuran-2-carboxylic acid (CID 11435181) is 5-methoxycarbonylfuran-2-carboxylic acid.
What is the SMILES notation for 5-methoxycarbonylfuran-2-carboxylic acid?
The canonical SMILES for 5-methoxycarbonylfuran-2-carboxylic acid is COC(=O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-methoxycarbonylfuran-2-carboxylic acid?
The InChIKey is AETGYSUEDWYSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c1-11-7(10)5-3-2-4(12-5)6(8)9/h2-3H,1H3,(H,8,9).
What are the key properties of 5-methoxycarbonylfuran-2-carboxylic acid?
5-methoxycarbonylfuran-2-carboxylic acid has a molecular weight of 170.12 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycarbonylfuran-2-carboxylic acid is sourced from PubChem (CID 11435181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).