3-[4-(Dimethylamino)phenyl]-2-methylprop-2-enoic acid

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Basic information

CAS: 1614-99-9
Standard SMILES: CC(=Cc1ccc(N(C)C)cc1)C(=O)O
InChIKey: WXLUBRDUMYJXKW-UHFFFAOYSA-N
Molecular formula: C12H15NO2
Average molar mass: 205.25 g/mol
Monoisotopic mass: 205.11027872

Names & identifiers

Preferred name: 3-[4-(Dimethylamino)phenyl]-2-methylprop-2-enoic acid
IUPAC: 3-[4-(dimethylamino)phenyl]-2-methylprop-2-enoic acid

Names & synonyms

SCHEMBL59502563-[4-(Dimethylamino)phenyl]-2-methyl-2-propenoic acid3-[4-(dimethylamino)phenyl]-2-methylprop-2-enoic acidDTXSID401211999AKOS0175479471614-99-9

Database identifiers

CAS: 1614-99-9
PubChem CID: 367963
DTXSID: DTXSID401211999

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 250

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