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101973-22-2 | 1,4-Dioxin, 2,3-dihydro-2,3,5,6-tetraphenyl-, cis- (9CI)
CAS No: 101973-22-2 Catalog No: AG00064N MDL No:
Product Description
Catalog Number:
AG00064N
Chemical Name:
1,4-Dioxin, 2,3-dihydro-2,3,5,6-tetraphenyl-, cis- (9CI)
CAS Number:
101973-22-2
Molecular Formula:
C28H22O2
Molecular Weight:
390.4731
IUPAC Name:
2,3,5,6-tetraphenyl-2,3-dihydro-1,4-dioxine
InChI:
InChI=1S/C28H22O2/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)30-28(24-19-11-4-12-20-24)27(29-25)23-17-9-3-10-18-23/h1-20,25-26H
InChI Key:
NGPHILZVYQEOHB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)[C@@H]1OC(=C(O[C@@H]1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
507
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.162g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
390.482g/mol
Monoisotopic Mass:
390.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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