4-methoxycarbonylfuran-3-carboxylic acid

C7H6O5 — CID 13265891

IUPAC4-methoxycarbonylfuran-3-carboxylic acid
SMILESCOC(=O)c1cocc1C(=O)O
InChIInChI=1S/C7H6O5/c1-11-7(10)5-3-12-2-4(5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKeyLWUGISMNFCGOIY-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.76
Rot. Bonds2

About 4-methoxycarbonylfuran-3-carboxylic acid

4-methoxycarbonylfuran-3-carboxylic acid (PubChem CID 13265891) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 4-methoxycarbonylfuran-3-carboxylic acid.

Molecular Properties

Compound Name4-methoxycarbonylfuran-3-carboxylic acid
PubChem CID13265891
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name4-methoxycarbonylfuran-3-carboxylic acid
SMILESCOC(=O)c1cocc1C(=O)O
InChIInChI=1S/C7H6O5/c1-11-7(10)5-3-12-2-4(5)6(8)9/h2-3H,1H3,(H,8,9)
InChIKeyLWUGISMNFCGOIY-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

3-Furoic acid
CID 10268
Methyl furan-3-carboxylate
CID 14918
Ethyl 3-furoate
CID 69201
3,4-Furandicarboxylic acid
CID 76923
4-(Ethoxycarbonyl)furan-3-carboxylic acid
CID 271570
3,4-Diethyl 3,4-furandicarboxylate
CID 35399
Furan-3,4-diyldimethanol
CID 84477
2-(Trimethylsilyl)furan-3-carboxylic acid
CID 10888625
3,4-Furandimethanol, diacetate
CID 100613
Dimethyl furan-3,4-dicarboxylate
CID 303461
4-Methylfuran-3-carbaldehyde
CID 11029782
4-Methylfuran-3-carboxylic acid
CID 14779340

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonylfuran-3-carboxylic acid?
The IUPAC name of 4-methoxycarbonylfuran-3-carboxylic acid (CID 13265891) is 4-methoxycarbonylfuran-3-carboxylic acid.
What is the SMILES notation for 4-methoxycarbonylfuran-3-carboxylic acid?
The canonical SMILES for 4-methoxycarbonylfuran-3-carboxylic acid is COC(=O)c1cocc1C(=O)O.
What is the InChIKey of 4-methoxycarbonylfuran-3-carboxylic acid?
The InChIKey is LWUGISMNFCGOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c1-11-7(10)5-3-12-2-4(5)6(8)9/h2-3H,1H3,(H,8,9).
What are the key properties of 4-methoxycarbonylfuran-3-carboxylic acid?
4-methoxycarbonylfuran-3-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 4-methoxycarbonylfuran-3-carboxylic acid is sourced from PubChem (CID 13265891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).