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113386-21-3 | Thiophene, 2-[(4-methylphenyl)methyl]-
CAS No: 113386-21-3 Catalog No: AG0008DY MDL No:
Product Description
Catalog Number:
AG0008DY
Chemical Name:
Thiophene, 2-[(4-methylphenyl)methyl]-
CAS Number:
113386-21-3
Molecular Formula:
C12H12S
Molecular Weight:
188.2887
IUPAC Name:
2-[(4-methylphenyl)methyl]thiophene
InChI:
InChI=1S/C12H12S/c1-10-4-6-11(7-5-10)9-12-3-2-8-13-12/h2-8H,9H2,1H3
InChI Key:
KSZBBGSOBWUIOV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1cccs1
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.066g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.288g/mol
Monoisotopic Mass:
188.066g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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