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89208-22-0 | Hexanedioic acid, 3-(1-methylethyl)-, bis(6-hydroxyhexyl) ester
CAS No: 89208-22-0 Catalog No: AG00445O MDL No:
Product Description
Catalog Number:
AG00445O
Chemical Name:
Hexanedioic acid, 3-(1-methylethyl)-, bis(6-hydroxyhexyl) ester
CAS Number:
89208-22-0
Molecular Formula:
C21H40O6
Molecular Weight:
388.5387
IUPAC Name:
bis(6-hydroxyhexyl) 3-propan-2-ylhexanedioate
InChI:
InChI=1S/C21H40O6/c1-18(2)19(17-21(25)27-16-10-6-4-8-14-23)11-12-20(24)26-15-9-5-3-7-13-22/h18-19,22-23H,3-17H2,1-2H3
InChI Key:
PQRAUOXFPLGKEC-UHFFFAOYSA-N
SMILES:
OCCCCCCOC(=O)CCC(C(C)C)CC(=O)OCCCCCCO
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.282g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
388.545g/mol
Monoisotopic Mass:
388.282g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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