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6921-11-5 | 4,4-Dinitropentanoic acid ethyl ester
CAS No: 6921-11-5 Catalog No: AG00FPPY MDL No:
Product Description
Catalog Number:
AG00FPPY
Chemical Name:
4,4-Dinitropentanoic acid ethyl ester
CAS Number:
6921-11-5
IUPAC Name:
ethyl 4,4-dinitropentanoate
InChI:
InChI=1S/C7H12N2O6/c1-3-15-6(10)4-5-7(2,8(11)12)9(13)14/h3-5H2,1-2H3
InChI Key:
GERAAQRTSQGECN-UHFFFAOYSA-N
EC Number:
230-033-8
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.181g/mol
Monoisotopic Mass:
220.07g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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