2-Propenoic acid, 3-[4-(2-methylpropoxy)phenyl]-

HCID 4201748

Notes Reactions

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Basic information

CAS: 20718-98-3
Standard SMILES: CC(C)COc1ccc(C=CC(=O)O)cc1
InChIKey: NZUIHGSLMBYAMW-UHFFFAOYSA-N
Molecular formula: C13H16O3
Average molar mass: 220.26 g/mol
Monoisotopic mass: 220.10994437

Names & identifiers

Preferred name: 2-Propenoic acid, 3-[4-(2-methylpropoxy)phenyl]-
IUPAC: 3-[4-(2-methylpropoxy)phenyl]prop-2-enoic acid

Names & synonyms

3-[4-(2-methylpropoxy)phenyl]prop-2-enoic Acid20718-98-32-Propenoic acid, 3-[4-(2-methylpropoxy)phenyl]-SCHEMBL157926DTXSID704007904-(2-methylpropoxy)cinnamic acidNZUIHGSLMBYAMW-UHFFFAOYSA-N3-(4-isobutoxyphenyl)prop-2-enoic acid

Database identifiers

CAS: 20718-98-3
PubChem CID: 4201748
DTXSID: DTXSID70400790

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 238

Related reactions

6 records

New reaction record

HRID 358946As productuspto-grants-1991_03

HRID 372937As productuspto-grants-1992_11

HRID 483955As productuspto-grants-1993_07

HRID 483958As productuspto-grants-1993_07

HRID 484288As productuspto-grants-1993_07

HRID 2248542As productuspto-grants-1991_08

Compound notes

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