NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
benzene-1,3,5-tricarboxylic acid
|
|
|
IUPAC Traditional name
|
|
Synonyms
|
1,3,5-BENZENETRICARBOXYLIC ACID
|
BTC
|
H3BTC
|
TMA
|
Benzene-1,3,5-tricarboxylic acid
|
Trimesic acid
|
Trimesic acid
|
1,3,5-Benzenetricarboxylic acid
|
1,3,5-Benzenetricarboxylic Acid
|
TRIMESIC ACID
|
1,3,5-苯三羧酸
|
均苯三酸
|
1,3,5-苯三羧酸
|
|
|
CAS Number
|
|
EC Number
|
|
MDL Number
|
|
Beilstein Number
|
|
PubChem SID
|
|
PubChem CID
|
|
CHEBI ID
|
|
CHEMBL
|
|
Chemspider ID
|
|
DrugBank ID
|
|
Wikipedia Title
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
ALOGPS 2.1
Acid pKa
|
3.143383
|
H Acceptors
|
6
|
H Donor
|
3
|
LogD (pH = 5.5)
|
-4.0313435
|
LogD (pH = 7.4)
|
-8.595641
|
Log P
|
0.94599456
|
Molar Refractivity
|
47.8266 cm3
|
Polarizability
|
17.576946 Å3
|
Polar Surface Area
|
111.9 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
Log P
|
0.87
|
LOG S
|
-2.4
|
Solubility (Water)
|
8.37e-01 g/l
|
DETAILS
DETAILS
MP Biomedicals
DrugBank
Wikipedia
Sigma Aldrich
Sigma Aldrich -
482749
|
Packaging 100, 500 g in poly bottle Protocols & Applications Selected Applications of MOFs in Sustainable Energy Technologies Metal Organic Framework Linkers Technology Spotlight |
PATENTS
PATENTS
PubChem Patent
Google Patent