5-Phenyl-2,4-pentadienoic acid

HCID 73777

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Basic information

CAS: 1552-94-9
Standard SMILES: O=C(O)C=CC=Cc1ccccc1
InChIKey: FEIQOMCWGDNMHM-UHFFFAOYSA-N
Molecular formula: C11H10O2
Average molar mass: 174.2 g/mol
Monoisotopic mass: 174.06807956

Names & identifiers

Preferred name: 5-Phenyl-2,4-pentadienoic acid
IUPAC: 5-phenylpenta-2,4-dienoic acid

Names & synonyms

2,4-Pentadienoic acid, 5-phenyl-DTXSID2061771RefChem:1073226DTXCID90349971552-94-95-Phenyl-2,4-pentadienoic acidstyrene-acrylic acidCinnamalacetic acidSpectrum_001920Spectrum2_000817Spectrum3_000712Spectrum4_001641

Show more names

NCIOpen2_000137SCHEMBL15119KBioGR_002101KBioSS_002462(2E,4E)-Cinnamalacetic acidSPBio_000713orb1304629SCHEMBL11688162

Database identifiers

CAS: 1552-94-9
PubChem CID: 73777
DTXSID: DTXSID2061771
EC Number: 216-298-2

Properties

Computed structural propertiesFilling in

XLogP: 2.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 210

Experimental & physicochemical properties

LogP3.15

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.