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137204-05-8 | 1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester
CAS No: 137204-05-8 Catalog No: AG0012XN MDL No:
Product Description
Catalog Number:
AG0012XN
Chemical Name:
1,2,4,5-Benzenetetracarboxylic acid, 1,4-ditetradecyl ester
CAS Number:
137204-05-8
Molecular Formula:
C38H60O8--
Molecular Weight:
644.8782
IUPAC Name:
2,5-bis(tetradecoxycarbonyl)terephthalate
InChI:
InChI=1S/C38H62O8/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-45-37(43)33-29-32(36(41)42)34(30-31(33)35(39)40)38(44)46-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30H,3-28H2,1-2H3,(H,39,40)(H,41,42)/p-2
InChI Key:
CTCDUNSVNKYNRA-UHFFFAOYSA-L
SMILES:
CCCCCCCCCCCCCCOC(=O)c1cc(C(=O)[O-])c(cc1C(=O)[O-])C(=O)OCCCCCCCCCCCCCC
Properties
Complexity:
736
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
644.429g/mol
Formal Charge:
-2
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
644.89g/mol
Monoisotopic Mass:
644.429g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
15.3
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