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1793-10-8 | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester
CAS No: 1793-10-8 Catalog No: AG0026X9 MDL No:
Product Description
Catalog Number:
AG0026X9
Chemical Name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2,3-tris(3-methylbutyl) ester
CAS Number:
1793-10-8
Molecular Formula:
C21H38O7
Molecular Weight:
402.5222
IUPAC Name:
tris(3-methylbutyl) 2-hydroxypropane-1,2,3-tricarboxylate
InChI:
InChI=1S/C21H38O7/c1-15(2)7-10-26-18(22)13-21(25,20(24)28-12-9-17(5)6)14-19(23)27-11-8-16(3)4/h15-17,25H,7-14H2,1-6H3
InChI Key:
ZGJMYWFCNCIEFN-UHFFFAOYSA-N
SMILES:
CC(CCOC(=O)C(CC(=O)OCCC(C)C)(CC(=O)OCCC(C)C)O)C
EC Number:
217-260-8
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.262g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.528g/mol
Monoisotopic Mass:
402.262g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
99.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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