Home Carboxys ethyl 7-nitro-2H-1,3-benzodioxole-5-carboxylate

ethyl 7-nitro-2H-1,3-benzodioxole-5-carboxylate

CAS No.:
1156940-88-3
Catalog Number:
AG01A58U
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
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Product Description
Catalog Number:
AG01A58U
Chemical Name:
ethyl 7-nitro-2H-1,3-benzodioxole-5-carboxylate
CAS Number:
1156940-88-3
Molecular Formula:
C10H9NO6
Molecular Weight:
239.1816
MDL Number:
MFCD12412148
IUPAC Name:
ethyl 7-nitro-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C10H9NO6/c1-2-15-10(12)6-3-7(11(13)14)9-8(4-6)16-5-17-9/h3-4H,2,5H2,1H3
InChI Key:
FHJSVGYPVQYJIV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2OCOc2c(c1)[N+](=O)[O-]
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.043g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.183g/mol
Monoisotopic Mass:
239.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties