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76002-91-0 | Bisphenol A (2,3-dihydroxypropyl) glycidyl ether
CAS No: 76002-91-0 Catalog No: AG005GSR MDL No:
Product Description
Catalog Number:
AG005GSR
Chemical Name:
Bisphenol A (2,3-dihydroxypropyl) glycidyl ether
CAS Number:
76002-91-0
Molecular Formula:
C21H26O5
Molecular Weight:
358.4281
IUPAC Name:
3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propane-1,2-diol
InChI:
InChI=1S/C21H26O5/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,22-23H,11-14H2,1-2H3
InChI Key:
NBLIPZBCGXIEFO-UHFFFAOYSA-N
SMILES:
OCC(COc1ccc(cc1)C(c1ccc(cc1)OCC1CO1)(C)C)O
EC Number:
278-357-9
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
358.434g/mol
Monoisotopic Mass:
358.178g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
71.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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