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82937-26-6 | Cyclohexane, (2-propynylthio)-
CAS No: 82937-26-6 Catalog No: AG00549D MDL No:
Product Description
Catalog Number:
AG00549D
Chemical Name:
Cyclohexane, (2-propynylthio)-
CAS Number:
82937-26-6
Molecular Formula:
C9H14S
Molecular Weight:
154.2725
IUPAC Name:
prop-2-ynylsulfanylcyclohexane
InChI:
InChI=1S/C9H14S/c1-2-8-10-9-6-4-3-5-7-9/h1,9H,3-8H2
InChI Key:
PBUNIVDBCFNBLU-UHFFFAOYSA-N
SMILES:
C#CCSC1CCCCC1
Properties
Complexity:
125
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:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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