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138510-42-6 | 2-Naphthalenol, 1-[1-(2,5-dimethyl-3-thienyl)ethenyl]-
CAS No: 138510-42-6 Catalog No: AG0019CZ MDL No:
Product Description
Catalog Number:
AG0019CZ
Chemical Name:
2-Naphthalenol, 1-[1-(2,5-dimethyl-3-thienyl)ethenyl]-
CAS Number:
138510-42-6
Molecular Formula:
C18H16OS
Molecular Weight:
280.3840
IUPAC Name:
1-[1-(2,5-dimethylthiophen-3-yl)ethenyl]naphthalen-2-ol
InChI:
InChI=1S/C18H16OS/c1-11-10-16(13(3)20-11)12(2)18-15-7-5-4-6-14(15)8-9-17(18)19/h4-10,19H,2H2,1,3H3
InChI Key:
NPNMBEVATSKXEE-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)C(=C)c1c(O)ccc2c1cccc2)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.092g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.385g/mol
Monoisotopic Mass:
280.092g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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