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146063-25-4 | Benzoic acid, 4-[2-(2-oxiranyl)ethoxy]-, 4-[2-(2-oxiranyl)ethoxy]phenyl ester
CAS No: 146063-25-4 Catalog No: AG001DO0 MDL No:
Product Description
Catalog Number:
AG001DO0
Chemical Name:
Benzoic acid, 4-[2-(2-oxiranyl)ethoxy]-, 4-[2-(2-oxiranyl)ethoxy]phenyl ester
CAS Number:
146063-25-4
Molecular Formula:
C21H22O6
Molecular Weight:
370.3958
IUPAC Name:
[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate
InChI:
InChI=1S/C21H22O6/c22-21(15-1-3-16(4-2-15)23-11-9-19-13-25-19)27-18-7-5-17(6-8-18)24-12-10-20-14-26-20/h1-8,19-20H,9-14H2
InChI Key:
PEUDQALZZZOUAG-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OCCC1CO1)Oc1ccc(cc1)OCCC1CO1
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.401g/mol
Monoisotopic Mass:
370.142g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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