Home Other Building Blocks 3,4-DIMETHOXY-BETA-METHYL-BETA-NITROSTYRENE

3,4-DIMETHOXY-BETA-METHYL-BETA-NITROSTYRENE

CAS No.:
122-47-4
Catalog Number:
AG009BGS
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
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Product Description
Catalog Number:
AG009BGS
Chemical Name:
3,4-DIMETHOXY-BETA-METHYL-BETA-NITROSTYRENE
CAS Number:
122-47-4
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00024815
IUPAC Name:
1,2-dimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
InChI:
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)11(7-9)16-3/h4-7H,1-3H3/b8-6+
InChI Key:
JGFBGRHDJMANRR-SOFGYWHQSA-N
SMILES:
COc1cc(ccc1OC)/C=C(/[N+](=O)[O-])\C
EC Number:
204-547-8
NSC Number:
243016
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties