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42998-51-6 | BENZYL ETHYL MALONATE
CAS No: 42998-51-6 Catalog No: AG003O47 MDL No:
Product Description
Catalog Number:
AG003O47
Chemical Name:
BENZYL ETHYL MALONATE
CAS Number:
42998-51-6
IUPAC Name:
3-O-benzyl 1-O-ethyl propanedioate
InChI:
InChI=1S/C12H14O4/c1-2-15-11(13)8-12(14)16-9-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChI Key:
CGNOCUSLPSCMLL-UHFFFAOYSA-N
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.089g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.24g/mol
Monoisotopic Mass:
222.089g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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