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Diisopropyl Phthalate

CAS No.:
605-45-8
Catalog Number:
AG003PJX
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
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Product Description
Catalog Number:
AG003PJX
Chemical Name:
Diisopropyl Phthalate
CAS Number:
605-45-8
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
MDL Number:
MFCD00053717
IUPAC Name:
dipropan-2-yl benzene-1,2-dicarboxylate
InChI:
InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChI Key:
QWDBCIAVABMJPP-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1ccccc1C(=O)OC(C)C)C
EC Number:
210-086-3
UNII:
BFC138Q4PX
NSC Number:
15315
Properties
Complexity:
266  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Subcritical water extraction for the remediation of phthalate ester-contaminated soil. Journal of hazardous materials 20110915
Concise synthesis of telmisartan via decarboxylative cross-coupling. The Journal of organic chemistry 20081107
Evaluation of estrogenic activity of phthalate esters by gene expression profiling using a focused microarray (EstrArray). Environmental toxicology and chemistry 20080601
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods. Journal of molecular graphics & modelling 20061101
Application of sweeping to micellar electrokinetic chromatography-atmospheric pressure chemical ionization-mass spectrometric analysis of environmental pollutants. Electrophoresis 20011001
Properties