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Home > Nitro Compounds > 121218-70-0
121218-70-0 | Dimethyl 3-(Nitromethyl)pentanedioate
CAS No: 121218-70-0 Catalog No: AG01FLJ9 MDL No:
Product Description
Catalog Number:
AG01FLJ9
Chemical Name:
Dimethyl 3-(Nitromethyl)pentanedioate
CAS Number:
121218-70-0
IUPAC Name:
dimethyl 3-(nitromethyl)pentanedioate
InChI:
InChI=1S/C8H13NO6/c1-14-7(10)3-6(5-9(12)13)4-8(11)15-2/h6H,3-5H2,1-2H3
InChI Key:
XFTAIQNHWDSIRS-UHFFFAOYSA-N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.193g/mol
Monoisotopic Mass:
219.074g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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