Completing data — usually done within a minute
Basic information
- CAS
1866-39-3- Standard SMILES
Cc1ccc(C=CC(=O)O)cc1- InChIKey
RURHILYUWQEGOS-UHFFFAOYSA-N- Molecular formula
- C10H10O2
- Average molar mass
- 162.18 g/mol
- Monoisotopic mass
- 162.06807956
Names & identifiers
- Preferred name
- 3-(p-Tolyl)acrylic acid
- IUPAC
- 3-(4-methylphenyl)prop-2-enoic acid
Names & synonyms
3-(p-Tolyl)acrylic acid3-(4-methylphenyl)acrylic acid3-p-Tolyl-acrylic acid3-(p-tolyl)prop-2-enoic acid2-Propenoic acid, 3-(4-methylphenyl)-3-(4-methylphenyl)prop-2-enoic acid4-methyl-cinnamic acidOzagrel Impurity N54-methyl cinnamic acidEnamine_005062NCIOpen2_001890SCHEMBL80447
Show more names
4-Methylcinnamic acid (NIST)AKOS025243228PD211480DB-0446123-(4-METHYLPHENYL)-2-PROPENOIC ACID
Database identifiers
- CAS
1866-39-3- PubChem CID
- 15835
- DTXSID
DTXSID301314899
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
41 records
Compound notes
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