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Home > Nitro Compounds > 128638-55-1
128638-55-1 | 1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
CAS No: 128638-55-1 Catalog No: AG019ES6 MDL No:MFCD00052911
Product Description
Catalog Number:
AG019ES6
Chemical Name:
1,3-dimethoxy-5-[(E)-2-nitroprop-1-enyl]benzene
CAS Number:
128638-55-1
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
MDL Number:
MFCD00052911
IUPAC Name:
1,3-dimethoxy-5-(2-nitroprop-1-enyl)benzene
InChI:
InChI=1S/C11H13NO4/c1-8(12(13)14)4-9-5-10(15-2)7-11(6-9)16-3/h4-7H,1-3H3
InChI Key:
COWWUDOIMZXGFM-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C(/[N+](=O)[O-])\C)cc(c1)OC
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
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:
1
XLogP3:
2.5
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