Basic information
- CAS
27510-48-1- Standard SMILES
N#Cc1ccccc1/C=C\C(=O)O- InChIKey
HQVOPXGNHGTKOD-WAYWQWQTSA-N- Molecular formula
- C10H7NO2
- Average molar mass
- 173.17 g/mol
- Monoisotopic mass
- 173.04767847
Names & identifiers
- Preferred name
- (2Z)-3-(2-cyanophenyl)prop-2-enoic acid
- IUPAC
- (Z)-3-(2-cyanophenyl)prop-2-enoic acid
Names & synonyms
(2Z)-3-(2-CYANOPHENYL)PROP-2-ENOIC ACIDRefChem:399140999-895-7(Z)-3-(2-cyanophenyl)prop-2-enoic acid(Z)-3-(2-Cyanophenyl)acrylic acidcis-o-cyanocinnamic acidSCHEMBL448705HQVOPXGNHGTKOD-WAYWQWQTSA-NEN300-304572G34173(2Z)-3-(2-CYANOPHENYL)PROP-2-ENOICACID
Database identifiers
- CAS
27510-48-1- PubChem CID
- 1899166
- 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
- Formal charge
- 0
- Complexity
- 261
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
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%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)
Related reactions
6 records
Compound notes
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