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Home > Nitro Compounds > 64179-40-4
64179-40-4 | 5-nitrospiro[1,3-benzodioxole-2,1'-cyclohexane]
CAS No: 64179-40-4 Catalog No: AG00JGZ6 MDL No:MFCD01463454
Product Description
Catalog Number:
AG00JGZ6
Chemical Name:
5-nitrospiro[1,3-benzodioxole-2,1'-cyclohexane]
CAS Number:
64179-40-4
Molecular Formula:
C12H13NO4
Molecular Weight:
235.2359
MDL Number:
MFCD01463454
IUPAC Name:
5-nitrospiro[1,3-benzodioxole-2,1'-cyclohexane]
InChI:
InChI=1S/C12H13NO4/c14-13(15)9-4-5-10-11(8-9)17-12(16-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2
InChI Key:
DGGQZKWSSUCGHQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OC1(O2)CCCCC1
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.239g/mol
Monoisotopic Mass:
235.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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