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Home > Nitro Compounds > 87095-03-2
87095-03-2 | 1,3-Benzodioxole,5-(2-nitropropyl)-
CAS No: 87095-03-2 Catalog No: AG004LKE MDL No:
Product Description
Catalog Number:
AG004LKE
Chemical Name:
1,3-Benzodioxole,5-(2-nitropropyl)-
CAS Number:
87095-03-2
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
5-(2-nitropropyl)-1,3-benzodioxole
InChI:
InChI=1S/C10H11NO4/c1-7(11(12)13)4-8-2-3-9-10(5-8)15-6-14-9/h2-3,5,7H,4,6H2,1H3
InChI Key:
IPIRRNUQJDSUFK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(Cc1ccc2c(c1)OCO2)C
NSC Number:
157704
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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