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68480-11-5 | 6'-methylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazole)
CAS No: 68480-11-5 Catalog No: AG006JNI MDL No:
Product Description
Catalog Number:
AG006JNI
Chemical Name:
6'-methylspiro(cyclohexane-1,2'-(1,3)dioxolo(4,5-f)benzothiazole)
CAS Number:
68480-11-5
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
IUPAC Name:
spiro[oxolane-2,8'-tricyclo[5.2.1.02,6]decane]
InChI:
InChI=1S/C13H20O/c1-3-10-9-7-12(11(10)4-1)13(8-9)5-2-6-14-13/h9-12H,1-8H2
InChI Key:
JDJZAKLOMAHING-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc1c(c2)OC2(O1)CCCCC2
EC Number:
270-887-9
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.151g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.302g/mol
Monoisotopic Mass:
192.151g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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