3-(2-Cyanophenyl)prop-2-enoic acid

HCID 264807
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Basic information

CAS
27510-48-1
Standard SMILES
N#Cc1ccccc1C=CC(=O)O
InChIKey
HQVOPXGNHGTKOD-UHFFFAOYSA-N
Molecular formula
C10H7NO2
Average molar mass
173.17 g/mol
Monoisotopic mass
173.04767846

Names & identifiers

Preferred name
3-(2-Cyanophenyl)prop-2-enoic acid
IUPAC
3-(2-cyanophenyl)prop-2-enoic acid

Names & synonyms

3-(2-cyanophenyl)prop-2-enoic acid27510-48-1DTXSID70295183RefChem:273656DTXCID602463213-(2-Cyanophenyl)-2-propenoic acido-cyanocinnamic acid2-Propenoic acid, 3-(2-cyanophenyl)-, (E)-2-Propenoic acid, 3-(2-cyanophenyl)-, (Z)-NCIOpen2_001983SCHEMBL448706HQVOPXGNHGTKOD-UHFFFAOYSA-N
Show more names
CAA88629CBA51048AKOS016042111

Database identifiers

CAS
27510-48-1
PubChem CID
264807
DTXSID
DTXSID70295183
EC Number
999-895-7

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
61.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
13

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Related reactions

2 records
New reaction record

Compound notes

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