sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Diethyl 5-(hydroxymethyl)isophthalate

Diethyl 5-(hydroxymethyl)isophthalate

CAS No.:
181425-91-2
Catalog Number:
AG0022UZ
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$121
- +
5g
98%
1 week
United States
$364
- +
Product Description
Catalog Number:
AG0022UZ
Chemical Name:
Diethyl 5-(hydroxymethyl)isophthalate
CAS Number:
181425-91-2
Molecular Formula:
C13H16O5
Molecular Weight:
252.2631
MDL Number:
MFCD00239424
IUPAC Name:
diethyl 5-(hydroxymethyl)benzene-1,3-dicarboxylate
InChI:
InChI=1S/C13H16O5/c1-3-17-12(15)10-5-9(8-14)6-11(7-10)13(16)18-4-2/h5-7,14H,3-4,8H2,1-2H3
InChI Key:
AMRPMZYDTZVKTP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(CO)cc(c1)C(=O)OCC
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.1g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.266g/mol
Monoisotopic Mass:
252.1g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Design, synthesis, and biological activity of isophthalic acid derivatives targeted to the C1 domain of protein kinase C. Journal of medicinal chemistry 20090709
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties