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102069-17-0 | Acetic acid, 2-cyano-, 2-(2-methylpropoxy)-2-oxoethyl ester
CAS No: 102069-17-0 Catalog No: AG0006HD MDL No:
Product Description
Catalog Number:
AG0006HD
Chemical Name:
Acetic acid, 2-cyano-, 2-(2-methylpropoxy)-2-oxoethyl ester
CAS Number:
102069-17-0
Molecular Formula:
C9H13NO4
Molecular Weight:
199.2038
IUPAC Name:
[2-(2-methylpropoxy)-2-oxoethyl] 2-cyanoacetate
InChI:
InChI=1S/C9H13NO4/c1-7(2)5-13-9(12)6-14-8(11)3-4-10/h7H,3,5-6H2,1-2H3
InChI Key:
SGYRWDVTQZSIBJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OCC(=O)OCC(C)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.206g/mol
Monoisotopic Mass:
199.084g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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