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Home > Nitro Compounds > 87377-87-5
87377-87-5 | 2-Butanone, 4-(2-methyl-1,3-dioxolan-2-yl)-3-nitro-
CAS No: 87377-87-5 Catalog No: AG004GWZ MDL No:
Product Description
Catalog Number:
AG004GWZ
Chemical Name:
2-Butanone, 4-(2-methyl-1,3-dioxolan-2-yl)-3-nitro-
CAS Number:
87377-87-5
Molecular Formula:
C8H13NO5
Molecular Weight:
203.1925
IUPAC Name:
4-(2-methyl-1,3-dioxolan-2-yl)-3-nitrobutan-2-one
InChI:
InChI=1S/C8H13NO5/c1-6(10)7(9(11)12)5-8(2)13-3-4-14-8/h7H,3-5H2,1-2H3
InChI Key:
DAXZWGCSYQPHBZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(C(=O)C)CC1(C)OCCO1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.079g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.194g/mol
Monoisotopic Mass:
203.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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