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Home > Nitro Compounds > 1312603-37-4
1312603-37-4 | Benzene, 1-methoxy-4-nitro-2-[(2-propen-1-yloxy)methyl]-
CAS No: 1312603-37-4 Catalog No: AG000VTM MDL No:
Product Description
Catalog Number:
AG000VTM
Chemical Name:
Benzene, 1-methoxy-4-nitro-2-[(2-propen-1-yloxy)methyl]-
CAS Number:
1312603-37-4
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
1-methoxy-4-nitro-2-(prop-2-enoxymethyl)benzene
InChI:
InChI=1S/C11H13NO4/c1-3-6-16-8-9-7-10(12(13)14)4-5-11(9)15-2/h3-5,7H,1,6,8H2,2H3
InChI Key:
PQDVKRSLYHWEBT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(COCC=C)c(cc1)OC
Properties
Complexity:
239
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:
5
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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