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Home > Nitro Compounds > 439110-69-7
439110-69-7 | 2-methyl-2-[1-(4-nitrophenoxy)ethyl]-1,3-dioxolane
CAS No: 439110-69-7 Catalog No: AG00IYGD MDL No:MFCD03012600
Product Description
Catalog Number:
AG00IYGD
Chemical Name:
2-methyl-2-[1-(4-nitrophenoxy)ethyl]-1,3-dioxolane
CAS Number:
439110-69-7
Molecular Formula:
C12H15NO5
Molecular Weight:
253.2512
MDL Number:
MFCD03012600
IUPAC Name:
2-methyl-2-[1-(4-nitrophenoxy)ethyl]-1,3-dioxolane
InChI:
InChI=1S/C12H15NO5/c1-9(12(2)16-7-8-17-12)18-11-5-3-10(4-6-11)13(14)15/h3-6,9H,7-8H2,1-2H3
InChI Key:
JLNZXLDYILEZII-UHFFFAOYSA-N
SMILES:
CC(C1(C)OCCO1)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.254g/mol
Monoisotopic Mass:
253.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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