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100989-95-5 | Thiophene, 2,5-dihydro-3,4-di-2-naphthalenyl-
CAS No: 100989-95-5 Catalog No: AG0003DE MDL No:
Product Description
Catalog Number:
AG0003DE
Chemical Name:
Thiophene, 2,5-dihydro-3,4-di-2-naphthalenyl-
CAS Number:
100989-95-5
Molecular Formula:
C24H18S
Molecular Weight:
338.4647
IUPAC Name:
3,4-dinaphthalen-2-yl-2,5-dihydrothiophene
InChI:
InChI=1S/C24H18S/c1-3-7-19-13-21(11-9-17(19)5-1)23-15-25-16-24(23)22-12-10-18-6-2-4-8-20(18)14-22/h1-14H,15-16H2
InChI Key:
OMKMBDQHQIXBSK-UHFFFAOYSA-N
SMILES:
S1CC(=C(C1)c1ccc2c(c1)cccc2)c1ccc2c(c1)cccc2
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.113g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.468g/mol
Monoisotopic Mass:
338.113g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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