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16515-84-7 | 1,1,1-Ethanetricarboxylic acid, 2-phenyl-, 1,1,1-triethyl ester
CAS No: 16515-84-7 Catalog No: AG001VAX MDL No:
Product Description
Catalog Number:
AG001VAX
Chemical Name:
1,1,1-Ethanetricarboxylic acid, 2-phenyl-, 1,1,1-triethyl ester
CAS Number:
16515-84-7
Molecular Formula:
C17H22O6
Molecular Weight:
322.3530
IUPAC Name:
triethyl 1-benzylethane-1,1,2-tricarboxylate
InChI:
InChI=1S/C18H24O6/c1-4-22-15(19)13-18(16(20)23-5-2,17(21)24-6-3)12-14-10-8-7-9-11-14/h7-11H,4-6,12-13H2,1-3H3
InChI Key:
RPNRGCZUORVKJF-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)OCC)(C(=O)OCC)Cc1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.157g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.384g/mol
Monoisotopic Mass:
336.157g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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