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168141-33-1 | Propanedioic acid, 2-(hydroxymethyl)-2-(phenylmethyl)-, 1,3-diethyl ester
CAS No: 168141-33-1 Catalog No: AG001XVJ MDL No:
Product Description
Catalog Number:
AG001XVJ
Chemical Name:
Propanedioic acid, 2-(hydroxymethyl)-2-(phenylmethyl)-, 1,3-diethyl ester
CAS Number:
168141-33-1
Molecular Formula:
C15H20O5
Molecular Weight:
280.3163
IUPAC Name:
diethyl 2-benzyl-2-(hydroxymethyl)propanedioate
InChI:
InChI=1S/C15H20O5/c1-3-19-13(17)15(11-16,14(18)20-4-2)10-12-8-6-5-7-9-12/h5-9,16H,3-4,10-11H2,1-2H3
InChI Key:
WJTSPAOXXSLFGD-UHFFFAOYSA-N
SMILES:
OCC(C(=O)OCC)(C(=O)OCC)Cc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.131g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.32g/mol
Monoisotopic Mass:
280.131g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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