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125213-02-7 | Thiophene, tetrahydro-3-nonyl-
CAS No: 125213-02-7 Catalog No: AG000NCV MDL No:
Product Description
Catalog Number:
AG000NCV
Chemical Name:
Thiophene, tetrahydro-3-nonyl-
CAS Number:
125213-02-7
Molecular Formula:
C13H26S
Molecular Weight:
214.4105
IUPAC Name:
3-nonylthiolane
InChI:
InChI=1S/C13H26S/c1-2-3-4-5-6-7-8-9-13-10-11-14-12-13/h13H,2-12H2,1H3
InChI Key:
SIJCEFKRQXCLMU-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC1CSCC1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.176g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.411g/mol
Monoisotopic Mass:
214.176g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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