Home Carboxys 1,2-Benzenedicarboxylic acid, 1-isononyl 2-(phenylmethyl) ester

1,2-Benzenedicarboxylic acid, 1-isononyl 2-(phenylmethyl) ester

CAS No.:
126198-74-1
Catalog Number:
AG000SB3
Molecular Formula:
C24H30O4
Molecular Weight:
382.4926
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
1 week
United States
$120
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Product Description
Catalog Number:
AG000SB3
Chemical Name:
1,2-Benzenedicarboxylic acid, 1-isononyl 2-(phenylmethyl) ester
CAS Number:
126198-74-1
Molecular Formula:
C24H30O4
Molecular Weight:
382.4926
MDL Number:
MFCD08276308
IUPAC Name:
2-O-benzyl 1-O-(7-methyloctyl) benzene-1,2-dicarboxylate
InChI:
InChI=1S/C24H30O4/c1-19(2)12-6-3-4-11-17-27-23(25)21-15-9-10-16-22(21)24(26)28-18-20-13-7-5-8-14-20/h5,7-10,13-16,19H,3-4,6,11-12,17-18H2,1-2H3
InChI Key:
IZTZLYGDXPHVQF-UHFFFAOYSA-N
SMILES:
CC(CCCCCCOC(=O)c1ccccc1C(=O)OCc1ccccc1)C
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.214g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.5g/mol
Monoisotopic Mass:
382.214g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3  
Properties