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Home > Nitro Compounds > 127693-25-8
127693-25-8 | 1,3-Dioxolane, 2-(2-methyl-3-nitrophenyl)-
CAS No: 127693-25-8 Catalog No: AG000XAQ MDL No:
Product Description
Catalog Number:
AG000XAQ
Chemical Name:
1,3-Dioxolane, 2-(2-methyl-3-nitrophenyl)-
CAS Number:
127693-25-8
Molecular Formula:
C10H11NO4
Molecular Weight:
209.1986
IUPAC Name:
2-(2-methyl-3-nitrophenyl)-1,3-dioxolane
InChI:
InChI=1S/C10H11NO4/c1-7-8(10-14-5-6-15-10)3-2-4-9(7)11(12)13/h2-4,10H,5-6H2,1H3
InChI Key:
CPTDULVBLWSGIS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1C)C1OCCO1
Properties
Complexity:
234
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:
1
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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