sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 1,4-Benzenediacrylic acid

1,4-Benzenediacrylic acid

CAS No.:
16323-43-6
Catalog Number:
AG001TXR
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$79
- +
25g
95%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG001TXR
Chemical Name:
1,4-Benzenediacrylic acid
CAS Number:
16323-43-6
Molecular Formula:
C12H10O4
Molecular Weight:
218.2054
MDL Number:
MFCD00002698
IUPAC Name:
(E)-3-[4-[(E)-2-carboxyethenyl]phenyl]prop-2-enoic acid
InChI:
InChI=1S/C12H10O4/c13-11(14)7-5-9-1-2-10(4-3-9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+
InChI Key:
AAFXQFIGKBLKMC-KQQUZDAGSA-N
SMILES:
OC(=O)C=Cc1ccc(cc1)C=CC(=O)O
EC Number:
240-399-0
UNII:
0F7E4O8Q8Y
NSC Number:
133919
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2  
Exact Mass:
218.058g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
218.208g/mol
Monoisotopic Mass:
218.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties