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Home > Nitro Compounds > 15896-78-3
15896-78-3 | 1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-
CAS No: 15896-78-3 Catalog No: AG001R21 MDL No:
Product Description
Catalog Number:
AG001R21
Chemical Name:
1,3-Benzodioxole, 4-methoxy-6-(2-nitroethenyl)-
CAS Number:
15896-78-3
Molecular Formula:
C10H9NO5
Molecular Weight:
223.1822
IUPAC Name:
4-methoxy-6-(2-nitroethyl)-1,3-benzodioxole
InChI:
InChI=1S/C10H11NO5/c1-14-8-4-7(2-3-11(12)13)5-9-10(8)16-6-15-9/h4-5H,2-3,6H2,1H3
InChI Key:
CQLKFXWLIUUMNC-UHFFFAOYSA-N
SMILES:
COc1cc(C=C[N+](=O)[O-])cc2c1OCO2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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