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27610-47-5 | Oxirane, 2,2'-[1,5-naphthalenediylbis(oxymethylene)]bis-
CAS No: 27610-47-5 Catalog No: AG002U8H MDL No:
Product Description
Catalog Number:
AG002U8H
Chemical Name:
Oxirane, 2,2'-[1,5-naphthalenediylbis(oxymethylene)]bis-
CAS Number:
27610-47-5
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
IUPAC Name:
2-[[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
InChI:
InChI=1S/C16H16O4/c1-3-13-14(15(5-1)19-9-11-7-17-11)4-2-6-16(13)20-10-12-8-18-12/h1-6,11-12H,7-10H2
InChI Key:
KLWDDBHWNBBEBZ-UHFFFAOYSA-N
SMILES:
c1cc(OCC2CO2)c2c(c1)c(OCC1CO1)ccc2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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