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113591-54-1 | Thiophene, 3,5-dimethyl-2-propyl-
CAS No: 113591-54-1 Catalog No: AG00092M MDL No:
Product Description
Catalog Number:
AG00092M
Chemical Name:
Thiophene, 3,5-dimethyl-2-propyl-
CAS Number:
113591-54-1
Molecular Formula:
C9H14S
Molecular Weight:
154.2725
IUPAC Name:
3,5-dimethyl-2-propylthiophene
InChI:
InChI=1S/C9H14S/c1-4-5-9-7(2)6-8(3)10-9/h6H,4-5H2,1-3H3
InChI Key:
AIKMKEMIIQNNSI-UHFFFAOYSA-N
SMILES:
CCCc1sc(cc1C)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.082g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
154.271g/mol
Monoisotopic Mass:
154.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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