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14132-45-7 | 1,2-Cyclobutanedicarboxylic acid, 1-cyano-, 1,2-dimethyl ester
CAS No: 14132-45-7 Catalog No: AG001G80 MDL No:MFCD25978111
Product Description
Catalog Number:
AG001G80
Chemical Name:
1,2-Cyclobutanedicarboxylic acid, 1-cyano-, 1,2-dimethyl ester
CAS Number:
14132-45-7
Molecular Formula:
C9H11NO4
Molecular Weight:
197.1879
MDL Number:
MFCD25978111
IUPAC Name:
dimethyl 1-cyanocyclobutane-1,2-dicarboxylate
InChI:
InChI=1S/C9H11NO4/c1-13-7(11)6-3-4-9(6,5-10)8(12)14-2/h6H,3-4H2,1-2H3
InChI Key:
GUYYKGJNXQNTDR-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCC1(C#N)C(=O)OC
NSC Number:
143967
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.19g/mol
Monoisotopic Mass:
197.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis of cyclobutane analogues of the antiviral cyclopropane nucleoside A-5021. | Nucleosides, nucleotides & nucleic acids 20011201 |
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