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101-90-6 | Oxirane, 2,2'-[1,3-phenylenebis(oxymethylene)]bis-
CAS No: 101-90-6 Catalog No: AG0003GT MDL No:MFCD00078378
Product Description
Catalog Number:
AG0003GT
Chemical Name:
Oxirane, 2,2'-[1,3-phenylenebis(oxymethylene)]bis-
CAS Number:
101-90-6
Molecular Formula:
C12H14O4
Molecular Weight:
222.2372
MDL Number:
MFCD00078378
IUPAC Name:
2-[[3-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
InChI:
InChI=1S/C12H14O4/c1-2-9(13-5-11-7-15-11)4-10(3-1)14-6-12-8-16-12/h1-4,11-12H,5-8H2
InChI Key:
WPYCRFCQABTEKC-UHFFFAOYSA-N
SMILES:
O1CC1COc1cccc(c1)OCC1OC1
EC Number:
202-987-5
NSC Number:
76621
RTECS Number:
VH1050000
UN Number:
2811
Properties
Complexity:
211
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:
6
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Conformational analysis of the chemical shifts for molecules containing diastereotopic methylene protons. | Journal of magnetic resonance (San Diego, Calif. : 1997) 20120101 |
| Characterization of environmental chemicals with potential for DNA damage using isogenic DNA repair-deficient chicken DT40 cell lines. | Environmental and molecular mutagenesis 20110801 |
| Diglycidyl resorcinol ether. | Report on carcinogens : carcinogen profiles 20110101 |
| Diglycidyl resorcinol ether. | Report on carcinogens : carcinogen profiles 20040101 |
| Forestomach neoplasms in Fischer F344/N rats and B6C3F1 mice exposed to diglycidyl resorcinol ether--an epoxy resin. | Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 19901001 |
| NTP Toxicology and Carcinogenesis Studies of Diglycidyl Resorcinol Ether (Technical Grade) (CAS No. 101-90-6) In F344/N Rats and B6C3F1 Mice (Gavage Studies). | National Toxicology Program technical report series 19861001 |
| Association of chemically induced forestomach cell proliferation and carcinogenesis. | Cancer letters 19860901 |
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