Formula |
C10H10O4 |
IUPAC Name |
4-[(1r)-1-carboxyethyl]benzoic acid |
Molecular Mass |
194.184 g·mol−1 |
Heat of Formation |
-699.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.20 ± 1.08 D |
Volume |
225.48 Å 3 |
Surface Area |
216.42 Å 2 |
HOMO Energy |
-10.22 ± 0.55 eV |
LUMO Energy |
-0.83 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-(1-carboxyethyl)benozic acid
- 4-[(1r)-2-hydroxy-1-methyl-2-oxo-ethyl]benzoic acid
- 4-[(1r)-2-hydroxy-1-methyl-2-oxoethyl]benzoic acid
- 4-[(1r)-2-hydroxy-2-keto-1-methyl-ethyl]benzoic acid
- 4-[(2r)-1-hydroxy-1-oxo-propan-2-yl]benzoic acid
- 4-[(2r)-1-hydroxy-1-oxopropan-2-yl]benzoic acid
- p-(1-carboxyethyl)benzoic acid
|
CAS Number(s) |
|
InChIKey |
ZHJJCJKDNFTHKD-ZCFIWIBFSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
|
|
|