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Home > Nitro Compounds > 17977-13-8
17977-13-8 | 2-Propenoic acid, 2-methyl-, 2,2-dinitropropyl ester
CAS No: 17977-13-8 Catalog No: AG00279C MDL No:
Product Description
Catalog Number:
AG00279C
Chemical Name:
2-Propenoic acid, 2-methyl-, 2,2-dinitropropyl ester
CAS Number:
17977-13-8
Molecular Formula:
C7H10N2O6
Molecular Weight:
218.1641
IUPAC Name:
2,2-dinitropropyl 2-methylprop-2-enoate
InChI:
InChI=1S/C7H10N2O6/c1-5(2)6(10)15-4-7(3,8(11)12)9(13)14/h1,4H2,2-3H3
InChI Key:
QTIMQTTZBLVHIH-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OCC([N+](=O)[O-])([N+](=O)[O-])C
EC Number:
241-899-1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.165g/mol
Monoisotopic Mass:
218.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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