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113777-30-3 | Pentanedioic acid, 2-methyl-2,4-diphenyl-, diethyl ester (9CI)
CAS No: 113777-30-3 Catalog No: AG0009NG MDL No:
Product Description
Catalog Number:
AG0009NG
Chemical Name:
Pentanedioic acid, 2-methyl-2,4-diphenyl-, diethyl ester (9CI)
CAS Number:
113777-30-3
Molecular Formula:
C22H26O4
Molecular Weight:
354.4394
IUPAC Name:
diethyl 2-methyl-2,4-diphenylpentanedioate
InChI:
InChI=1S/C22H26O4/c1-4-25-20(23)19(17-12-8-6-9-13-17)16-22(3,21(24)26-5-2)18-14-10-7-11-15-18/h6-15,19H,4-5,16H2,1-3H3
InChI Key:
HHSVKLJYFYYMGN-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccccc1)CC(c1ccccc1)(C(=O)OCC)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.183g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.446g/mol
Monoisotopic Mass:
354.183g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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