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36076-26-3 | Diethyl 2,2'-(1,4-phenylene)diacetate
CAS No: 36076-26-3 Catalog No: AG003B0P MDL No:MFCD00032366
Product Description
Catalog Number:
AG003B0P
Chemical Name:
Diethyl 2,2'-(1,4-phenylene)diacetate
CAS Number:
36076-26-3
Molecular Formula:
C14H18O4
Molecular Weight:
250.2903
MDL Number:
MFCD00032366
IUPAC Name:
ethyl 2-[4-(2-ethoxy-2-oxoethyl)phenyl]acetate
InChI:
InChI=1S/C14H18O4/c1-3-17-13(15)9-11-5-7-12(8-6-11)10-14(16)18-4-2/h5-8H,3-4,9-10H2,1-2H3
InChI Key:
JRSOAUOHTHOAOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1ccc(cc1)CC(=O)OCC
NSC Number:
139681
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.121g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.294g/mol
Monoisotopic Mass:
250.121g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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