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Home > Nitro Compounds > 827300-15-2
827300-15-2 | 1,3-Dioxolan-2-one, 4-methyl-5-nitro-
CAS No: 827300-15-2 Catalog No: AG0059T6 MDL No:
Product Description
Catalog Number:
AG0059T6
Chemical Name:
1,3-Dioxolan-2-one, 4-methyl-5-nitro-
CAS Number:
827300-15-2
Molecular Formula:
C4H5NO5
Molecular Weight:
147.0862
IUPAC Name:
4-methyl-5-nitro-1,3-dioxolan-2-one
InChI:
InChI=1S/C4H5NO5/c1-2-3(5(7)8)10-4(6)9-2/h2-3H,1H3
InChI Key:
SDHDKTXCZJXHHH-UHFFFAOYSA-N
SMILES:
O=C1OC(C(O1)[N+](=O)[O-])C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.086g/mol
Monoisotopic Mass:
147.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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