4-(1-Methyl-allyloxymethyl)-benzoic acid

HCID 68593236
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Basic information

Standard SMILES
C=CCOC(C)c1ccc(C(=O)O)cc1
InChIKey
OJKWIIHCSFKQLF-UHFFFAOYSA-N
Molecular formula
C12H14O3
Average molar mass
206.24 g/mol
Monoisotopic mass
206.0942943

Names & identifiers

Preferred name
4-(1-Methyl-allyloxymethyl)-benzoic acid
IUPAC
4-(1-prop-2-enoxyethyl)benzoic acid

Names & synonyms

SCHEMBL3316321OJKWIIHCSFKQLF-UHFFFAOYSA-N4-(1-Methyl-allyloxymethyl)-benzoic acid

Database identifiers

PubChem CID
68593236

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
15

Related reactions

1 records
New reaction record

Compound notes

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4-(1-Methyl-allyloxymethyl)-benzoic acid (HCID 68593236)｜Huagongshe