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114815-57-5 | Benzoic acid, 4-(2-oxiranylmethoxy)-, 4-(2-oxiranylmethoxy)phenyl ester
CAS No: 114815-57-5 Catalog No: AG000FAA MDL No:
Product Description
Catalog Number:
AG000FAA
Chemical Name:
Benzoic acid, 4-(2-oxiranylmethoxy)-, 4-(2-oxiranylmethoxy)phenyl ester
CAS Number:
114815-57-5
Molecular Formula:
C19H18O6
Molecular Weight:
342.3426
IUPAC Name:
[4-(oxiran-2-ylmethoxy)phenyl] 4-(oxiran-2-ylmethoxy)benzoate
InChI:
InChI=1S/C19H18O6/c20-19(13-1-3-14(4-2-13)21-9-17-11-23-17)25-16-7-5-15(6-8-16)22-10-18-12-24-18/h1-8,17-18H,9-12H2
InChI Key:
NIACVDVTUMAAPT-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)OCC1OC1)Oc1ccc(cc1)OCC1OC1
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.347g/mol
Monoisotopic Mass:
342.11g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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