2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid

C8H10O4 — CID 21496333

IUPAC2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid
SMILESO=CC1=CCC(O)C1CC(=O)O
InChIInChI=1S/C8H10O4/c9-4-5-1-2-7(10)6(5)3-8(11)12/h1,4,6-7,10H,2-3H2,(H,11,12)
InChIKeySHRTVANGQWXEOF-UHFFFAOYSA-N
MW170.16 g/mol
LogP-0.03
Rot. Bonds3

About 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid

2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid (PubChem CID 21496333) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid
PubChem CID21496333
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid
SMILESO=CC1=CCC(O)C1CC(=O)O
InChIInChI=1S/C8H10O4/c9-4-5-1-2-7(10)6(5)3-8(11)12/h1,4,6-7,10H,2-3H2,(H,11,12)
InChIKeySHRTVANGQWXEOF-UHFFFAOYSA-N
XLogP-0.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid?
The IUPAC name of 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid (CID 21496333) is 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid.
What is the SMILES notation for 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid?
The canonical SMILES for 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid is O=CC1=CCC(O)C1CC(=O)O.
What is the InChIKey of 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid?
The InChIKey is SHRTVANGQWXEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c9-4-5-1-2-7(10)6(5)3-8(11)12/h1,4,6-7,10H,2-3H2,(H,11,12).
What are the key properties of 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid?
2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid has a molecular weight of 170.16 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-5-hydroxycyclopent-2-en-1-yl)acetic acid is sourced from PubChem (CID 21496333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).