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1,2-Dihydroxy-4-methoxycarbonylcyclopentane

HCID 67356284
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)C1CC(O)C(O)C1
InChIKey
CYYVMRLPIXEHHO-UHFFFAOYSA-N
Molecular formula
C7H12O4
Average molar mass
160.17 g/mol
Monoisotopic mass
160.07355886

Names & identifiers

Preferred name
1,2-Dihydroxy-4-methoxycarbonylcyclopentane
IUPAC
methyl 3,4-dihydroxycyclopentane-1-carboxylate

Names & synonyms

SCHEMBL2303457CYYVMRLPIXEHHO-UHFFFAOYSA-N1,2-Dihydroxy-4-methoxycarbonylcyclopentane

Database identifiers

PubChem CID
67356284

Properties

Computed structural properties

XLogP
-0.7
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Formal charge
0
Complexity
147

Related reactions

3 records
New reaction record
HRID 684023 reaction equation
HRID 684023As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1123463 reaction equation
HRID 1123463As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1540612 reaction equation
HRID 1540612As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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