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113495-65-1 | 3,4-Selenophenediol, tetrahydro-2,5-dimethyl-3,4-diphenyl- (9CI)
CAS No: 113495-65-1 Catalog No: AG0008RG MDL No:
Product Description
Catalog Number:
AG0008RG
Chemical Name:
3,4-Selenophenediol, tetrahydro-2,5-dimethyl-3,4-diphenyl- (9CI)
CAS Number:
113495-65-1
Molecular Formula:
C18H20O2Se
Molecular Weight:
347.3102
IUPAC Name:
2,5-dimethyl-3,4-diphenylselenolane-3,4-diol
InChI:
InChI=1S/C18H20O2Se/c1-13-17(19,15-9-5-3-6-10-15)18(20,14(2)21-13)16-11-7-4-8-12-16/h3-14,19-20H,1-2H3
InChI Key:
KXYOPHGCTTVUMA-UHFFFAOYSA-N
SMILES:
CC1[Se]C(C(C1(O)c1ccccc1)(O)c1ccccc1)C
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.063g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
347.327g/mol
Monoisotopic Mass:
348.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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