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16672-39-2 | 1,2-Benzenedicarboxylic acid, 1,2-bis[2-(2-butoxyethoxy)ethyl] ester
CAS No: 16672-39-2 Catalog No: AG001WW8 MDL No:
Product Description
Catalog Number:
AG001WW8
Chemical Name:
1,2-Benzenedicarboxylic acid, 1,2-bis[2-(2-butoxyethoxy)ethyl] ester
CAS Number:
16672-39-2
Molecular Formula:
C24H38O8
Molecular Weight:
454.5537
IUPAC Name:
bis[2-(2-butoxyethoxy)ethyl] benzene-1,2-dicarboxylate
InChI:
InChI=1S/C24H38O8/c1-3-5-11-27-13-15-29-17-19-31-23(25)21-9-7-8-10-22(21)24(26)32-20-18-30-16-14-28-12-6-4-2/h7-10H,3-6,11-20H2,1-2H3
InChI Key:
GOBKHNHHHSPHEX-UHFFFAOYSA-N
SMILES:
CCCCOCCOCCOC(=O)c1ccccc1C(=O)OCCOCCOCCCC
UNII:
IP4TWH5LFM
NSC Number:
97314
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.257g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.56g/mol
Monoisotopic Mass:
454.257g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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