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Home > Nitro Compounds > 1820735-08-7
1820735-08-7 | 1,3-Dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
CAS No: 1820735-08-7 Catalog No: AG00I132 MDL No:MFCD28122703
Product Description
Catalog Number:
AG00I132
Chemical Name:
1,3-Dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
CAS Number:
1820735-08-7
MDL Number:
MFCD28122703
IUPAC Name:
dimethyl 2-(2-cyano-4-nitrophenyl)propanedioate
InChI:
InChI=1S/C12H10N2O6/c1-19-11(15)10(12(16)20-2)9-4-3-8(14(17)18)5-7(9)6-13/h3-5,10H,1-2H3
InChI Key:
KJZWDSQNHJMMES-UHFFFAOYSA-N
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.22g/mol
Monoisotopic Mass:
278.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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