Benzoic acid, 2-(allyloxy)-3,5-dipropyl-

HCID 23586

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Basic information

CAS: 7192-46-3
Standard SMILES: C=CCOc1c(CCC)cc(CCC)cc1C(=O)O
InChIKey: BVCJNCQYOHKMQL-UHFFFAOYSA-N
Molecular formula: C16H22O3
Average molar mass: 262.34 g/mol
Monoisotopic mass: 262.15689456

Names & identifiers

Preferred name: Benzoic acid, 2-(allyloxy)-3,5-dipropyl-
IUPAC: 2-prop-2-enoxy-3,5-dipropylbenzoic acid

Names & synonyms

BRN 2622031BENZOIC ACID, 2-(ALLYLOXY)-3,5-DIPROPYL-2-Allyloxy-3,5-dipropylbenzoic acid7192-46-3DTXSID10222190RefChem:326787DTXCID101446812-[(Prop-2-en-1-yl)oxy]-3,5-dipropylbenzoic acid

Database identifiers

CAS: 7192-46-3
PubChem CID: 23586
DTXSID: DTXSID10222190
Nikkaji: J73.812C

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 19
Formal charge: 0
Complexity: 288

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