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117402-61-6 | Phenoxaselenin, 2,3,7,8-tetramethoxy-
CAS No: 117402-61-6 Catalog No: AG000E8R MDL No:
Product Description
Catalog Number:
AG000E8R
Chemical Name:
Phenoxaselenin, 2,3,7,8-tetramethoxy-
CAS Number:
117402-61-6
Molecular Formula:
C16H16O5Se
Molecular Weight:
367.2552
IUPAC Name:
2,3,7,8-tetramethoxyphenoxaselenine
InChI:
InChI=1S/C16H16O5Se/c1-17-9-5-13-15(7-11(9)19-3)22-16-8-12(20-4)10(18-2)6-14(16)21-13/h5-8H,1-4H3
InChI Key:
RXIGRCZRVBGFKD-UHFFFAOYSA-N
SMILES:
COc1cc2[Se]c3cc(OC)c(cc3Oc2cc1OC)OC
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.016g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.27g/mol
Monoisotopic Mass:
368.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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