Basic information
- CAS
7355-51-3- Standard SMILES
O=C(O)c1ccc(OC2C=CCCC2)cc1- InChIKey
PDVBRFKIRWATOO-UHFFFAOYSA-N- Molecular formula
- C13H14O3
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.0942943
Names & identifiers
- Preferred name
- 4-(2-Cyclohexenyloxy)benzoic acid
- IUPAC
- 4-cyclohex-2-en-1-yloxybenzoic acid
- English name
- p-(2-Cyclohexenyloxy)benzoic acid
- Molecular formula
- C13H14O3
- Molecular weight
- 218.25
Names & synonyms
7355-51-34-(2-Cyclohexenyloxy)benzoic acid4-(cyclohex-2-en-1-yloxy)benzoic acid4-cyclohex-2-en-1-yloxybenzoic acidBenzoic acid,4-(2-cyclohexen-1-yloxy)-MFCD00152366p-(2-Cyclohexenyloxy)benzoic acidBenzoic acid, 4-(2-cyclohexen-1-yloxy)-para-2-Cyclohexenyloxybenzoic acidEINECS 230-882-44-(Cyclohex-2'-enyloxy)benzoic acidSCHEMBL3130902
Show more names
DTXSID001290947NSC599994-(Cyclohex-2-enyloxy)benzoic acidNSC 59999NSC-59999AKOS0251166094-(2-Cyclohexen-1-yloxy)benzoic acid4-(2-Cyclohexen-1-yloxy)benzoic acid #
Database identifiers
- CAS
7355-51-3- PubChem CID
- 96210
- DTXSID
DTXSID001290947- EC Number
- 230-882-4
- Nikkaji
- J212.353C
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Boiling point
- 369.9 · 369.9±35.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 4.42 · 4.42±0.10(Predicted)
Chemistry & industry
Suppliers4 total
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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