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100989-94-4 | Thiophene, 2,5-dihydro-3,4-diphenyl-
CAS No: 100989-94-4 Catalog No: AG0003DF MDL No:
Product Description
Catalog Number:
AG0003DF
Chemical Name:
Thiophene, 2,5-dihydro-3,4-diphenyl-
CAS Number:
100989-94-4
Molecular Formula:
C16H14S
Molecular Weight:
238.3474
IUPAC Name:
3,4-diphenyl-2,5-dihydrothiophene
InChI:
InChI=1S/C16H14S/c1-3-7-13(8-4-1)15-11-17-12-16(15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI Key:
HYSBHZMKJNYZNM-UHFFFAOYSA-N
SMILES:
S1CC(=C(C1)c1ccccc1)c1ccccc1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.082g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.348g/mol
Monoisotopic Mass:
238.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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