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Home > Other Heterocycles > 182-55-8
182-55-8 | spiro[1,3-benzodioxole-2,1'-cyclohexane]
CAS No: 182-55-8 Catalog No: AG00239W MDL No:
Product Description
Catalog Number:
AG00239W
Chemical Name:
spiro[1,3-benzodioxole-2,1'-cyclohexane]
CAS Number:
182-55-8
Molecular Formula:
C12H14O2
Molecular Weight:
190.2384
IUPAC Name:
spiro[1,3-benzodioxole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H14O2/c1-4-8-12(9-5-1)13-10-6-2-3-7-11(10)14-12/h2-3,6-7H,1,4-5,8-9H2
InChI Key:
SPXULWFZNXFRHI-UHFFFAOYSA-N
SMILES:
C1CCC2(CC1)Oc1c(O2)cccc1
EC Number:
205-873-3
NSC Number:
25097
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.099g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.242g/mol
Monoisotopic Mass:
190.099g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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