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Home > Nitro Compounds > 148899-14-3
148899-14-3 | Spiro[1,3-benzodioxole-2,1'-cyclopentane], 5-nitro-
CAS No: 148899-14-3 Catalog No: AG00HXO3 MDL No:MFCD01809916
Product Description
Catalog Number:
AG00HXO3
Chemical Name:
Spiro[1,3-benzodioxole-2,1'-cyclopentane], 5-nitro-
CAS Number:
148899-14-3
Molecular Formula:
C11H11NO4
Molecular Weight:
221.2093
MDL Number:
MFCD01809916
IUPAC Name:
5-nitrospiro[1,3-benzodioxole-2,1'-cyclopentane]
InChI:
InChI=1S/C11H11NO4/c13-12(14)8-3-4-9-10(7-8)16-11(15-9)5-1-2-6-11/h3-4,7H,1-2,5-6H2
InChI Key:
ZCRQRXNOUOCURO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OC1(O2)CCCC1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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