Completing data — usually done within a minute
Basic information
- CAS
949-98-4- Standard SMILES
CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
AWWVCUPVXCDDHS-UHFFFAOYSA-N- Molecular formula
- C10H9NO4
- Average molar mass
- 207.18 g/mol
Names & identifiers
- Preferred name
- alpha-Methyl-4-nitrocinnamic acid
- IUPAC
- 2-methyl-3-(4-nitrophenyl)prop-2-enoic acid
Names & synonyms
alpha-Methyl-4-nitrocinnamic acidRefChem:555844635-103-52-Methyl-3-(4-nitrophenyl)acrylic acidSCHEMBL52681AWWVCUPVXCDDHS-UHFFFAOYSA-NAKOS0175478623-(4-nitrophenyl)-2-methylacrylic acid
Database identifiers
- CAS
949-98-4- PubChem CID
- 235115
- EC Number
- 635-103-5
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 284
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
4 records
Compound notes
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