Formula |
C12H14O5 |
IUPAC Name |
2-(4-hydroxybutoxycarbonyl)benzoic acid |
Molecular Mass |
238.237 g·mol−1 |
Heat of Formation |
-841.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.94 ± 1.08 D |
Volume |
280.07 Å 3 |
Surface Area |
266.58 Å 2 |
HOMO Energy |
-10.51 ± 0.55 eV |
LUMO Energy |
-1.04 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1,2-benzenedicarboxylic acid, mono(4-hydroxybutyl) ester
- 2-(4-hydroxybutoxy-oxomethyl)benzoic acid
- 4-hydroxybutylphthalate
|
CAS Number(s) |
|
InChIKey |
FRGVYBUJIQMSOZ-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|