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24543-23-5

24543-23-5 | Cyclopropanecarboxylic acid, 1,2,2-tricyano-3-ethyl-3-methyl-, ethyl ester

CAS No: 24543-23-5 Catalog No: AG002OHG MDL No:

Product Description

Catalog Number:
AG002OHG
Chemical Name:
Cyclopropanecarboxylic acid, 1,2,2-tricyano-3-ethyl-3-methyl-, ethyl ester
CAS Number:
24543-23-5
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
IUPAC Name:
ethyl 1,2,2-tricyano-3-ethyl-3-methylcyclopropane-1-carboxylate
InChI:
InChI=1S/C12H13N3O2/c1-4-10(3)11(6-13,7-14)12(10,8-15)9(16)17-5-2/h4-5H2,1-3H3
InChI Key:
UBGDWKOORIQFIS-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(C#N)C(C1(C#N)C#N)(C)CC
NSC Number:
98367

Properties

Complexity:
496  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.101g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.255g/mol
Monoisotopic Mass:
231.101g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
97.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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