2-(3-Chlorobenzyl)malonic acid

HCID 21243395
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Basic information

Standard SMILES
O=C(O)C(Cc1cccc(Cl)c1)C(=O)O
InChIKey
WDTOUPHYRPGTNO-UHFFFAOYSA-N
Molecular formula
C10H9ClO4
Average molar mass
228.63 g/mol

Names & identifiers

Preferred name
2-(3-Chlorobenzyl)malonic acid
IUPAC
2-[(3-chlorophenyl)methyl]propanedioic acid

Names & synonyms

2-(3-Chlorobenzyl)malonic acid683215-19-2SCHEMBL3470119WDTOUPHYRPGTNO-UHFFFAOYSA-NDA-41707

Database identifiers

PubChem CID
21243395

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Related reactions

2 records
New reaction record

Compound notes

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