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Home Carboxys 4-Methylbenzene-1-carboxylic anhydride

4-Methylbenzene-1-carboxylic anhydride

CAS No.:
13222-85-0
Catalog Number:
AG0010EK
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$102
- +
5g
95%
In Stock USA
United States
$300
- +
10g
95%
In Stock USA
United States
$513
- +
Product Description
Catalog Number:
AG0010EK
Chemical Name:
4-Methylbenzene-1-carboxylic anhydride
CAS Number:
13222-85-0
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
MDL Number:
MFCD00048100
IUPAC Name:
(4-methylbenzoyl) 4-methylbenzoate
InChI:
InChI=1S/C16H14O3/c1-11-3-7-13(8-4-11)15(17)19-16(18)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChI Key:
BJMLLSSSTGHJJE-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C)OC(=O)c1ccc(cc1)C
Properties
Complexity:
289  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Comparative 16S rRNA gene surveys of granular sludge from three upflow anaerobic bioreactors treating purified terephthalic acid (PTA) wastewater. Water science and technology : a journal of the International Association on Water Pollution Research 20110101
Properties