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Home > Nitro Compounds > 18790-57-3
18790-57-3 | Benzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-
CAS No: 18790-57-3 Catalog No: AG002GL0 MDL No:
Product Description
Catalog Number:
AG002GL0
Chemical Name:
Benzene, 1,4-dimethoxy-2-(2-nitro-1-propen-1-yl)-
CAS Number:
18790-57-3
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
1,4-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
InChI:
InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-7-10(15-2)4-5-11(9)16-3/h4-7H,1-3H3/b8-6+
InChI Key:
MQFREHNTGKNSRH-SOFGYWHQSA-N
SMILES:
COc1ccc(cc1C=C([N+](=O)[O-])C)OC
EC Number:
242-573-1
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:
2.5
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