200,000+ products from a single source!
sales@angenechem.com
26386-42-5 | 1,4-Benzenedicarboxylic acid, 1-butyl 4-(phenylmethyl) ester
CAS No: 26386-42-5 Catalog No: AG002SZI MDL No:
Product Description
Catalog Number:
AG002SZI
Chemical Name:
1,4-Benzenedicarboxylic acid, 1-butyl 4-(phenylmethyl) ester
CAS Number:
26386-42-5
Molecular Formula:
C19H20O4
Molecular Weight:
312.3597
IUPAC Name:
4-O-benzyl 1-O-butyl benzene-1,4-dicarboxylate
InChI:
InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-9-11-17(12-10-16)19(21)23-14-15-7-5-4-6-8-15/h4-12H,2-3,13-14H2,1H3
InChI Key:
IEICWPCBTOBBDK-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1ccc(cc1)C(=O)OCc1ccccc1
EC Number:
247-643-5
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.365g/mol
Monoisotopic Mass:
312.136g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.