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Home > Nitro Compounds > 6921-12-6
6921-12-6 | 4,4-Dinitropentanoic acid methyl ester
CAS No: 6921-12-6 Catalog No: AG00FPQ4 MDL No:
Product Description
Catalog Number:
AG00FPQ4
Chemical Name:
4,4-Dinitropentanoic acid methyl ester
CAS Number:
6921-12-6
IUPAC Name:
methyl 4,4-dinitropentanoate
InChI:
InChI=1S/C6H10N2O6/c1-6(7(10)11,8(12)13)4-3-5(9)14-2/h3-4H2,1-2H3
InChI Key:
XJYBIOQYCBWSAV-UHFFFAOYSA-N
EC Number:
230-034-3
NSC Number:
76734
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.154g/mol
Monoisotopic Mass:
206.054g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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