5-(2-Methyl-[1,3]dioxolan-2-yl)furan-2-carbaldehyde

HCID 86649477

Notes Reactions

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Basic information

Standard SMILES: CC1(c2ccc(C=O)o2)OCCO1
InChIKey: NSDUJBQJRMESNZ-UHFFFAOYSA-N
Molecular formula: C9H10O4
Average molar mass: 182.17 g/mol

Names & identifiers

Preferred name: 5-(2-Methyl-[1,3]dioxolan-2-yl)furan-2-carbaldehyde
IUPAC: 5-(2-methyl-1,3-dioxolan-2-yl)furan-2-carbaldehyde

Names & synonyms

SCHEMBL11664585-(2-methyl-[1,3]dioxolan-2-yl)furan-2-carbaldehydeNSDUJBQJRMESNZ-UHFFFAOYSA-N1005212-34-9DB-3405055-(2-methyl-[1,3]dioxolan-2-yl)-furan-2-carbaldehyde

Database identifiers

PubChem CID: 86649477

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 48.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 198

Related reactions

5 records

New reaction record

HRID 42746As productuspto-grants-2013_09

HRID 818922As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 1189424As productuspto-grants-2014_03

HRID 1563521As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2064940As productuspto-grants-2012_10

Compound notes

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