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121720-67-0 | Cycloheptene, 1-(butylthio)-
CAS No: 121720-67-0 Catalog No: AG0015MM MDL No:
Product Description
Catalog Number:
AG0015MM
Chemical Name:
Cycloheptene, 1-(butylthio)-
CAS Number:
121720-67-0
Molecular Formula:
C11H20S
Molecular Weight:
184.3415
IUPAC Name:
1-butylsulfanylcycloheptene
InChI:
InChI=1S/C11H20S/c1-2-3-10-12-11-8-6-4-5-7-9-11/h8H,2-7,9-10H2,1H3
InChI Key:
DHIUIFOPYGKXAF-UHFFFAOYSA-N
SMILES:
CCCCSC1=CCCCCC1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.129g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.341g/mol
Monoisotopic Mass:
184.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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