200,000+ products from a single source!
sales@angenechem.com
844472-00-0 | 1,4-Cyclohexanedicarboxylic acid, bis(3-methylphenyl) ester
CAS No: 844472-00-0 Catalog No: AG004WPL MDL No:
Product Description
Catalog Number:
AG004WPL
Chemical Name:
1,4-Cyclohexanedicarboxylic acid, bis(3-methylphenyl) ester
CAS Number:
844472-00-0
Molecular Formula:
C22H24O4
Molecular Weight:
352.4236
IUPAC Name:
bis(3-methylphenyl) cyclohexane-1,4-dicarboxylate
InChI:
InChI=1S/C22H24O4/c1-15-5-3-7-19(13-15)25-21(23)17-9-11-18(12-10-17)22(24)26-20-8-4-6-16(2)14-20/h3-8,13-14,17-18H,9-12H2,1-2H3
InChI Key:
VLEXWMYYSDHKRW-UHFFFAOYSA-N
SMILES:
O=C(C1CCC(CC1)C(=O)Oc1cccc(c1)C)Oc1cccc(c1)C
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.167g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.43g/mol
Monoisotopic Mass:
352.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.