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102069-18-1 | Acetic acid, 2-cyano-, 2-(3-methylbutoxy)-2-oxoethyl ester
CAS No: 102069-18-1 Catalog No: AG0006HC MDL No:
Product Description
Catalog Number:
AG0006HC
Chemical Name:
Acetic acid, 2-cyano-, 2-(3-methylbutoxy)-2-oxoethyl ester
CAS Number:
102069-18-1
Molecular Formula:
C10H15NO4
Molecular Weight:
213.2304
IUPAC Name:
[2-(3-methylbutoxy)-2-oxoethyl] 2-cyanoacetate
InChI:
InChI=1S/C10H15NO4/c1-8(2)4-6-14-10(13)7-15-9(12)3-5-11/h8H,3-4,6-7H2,1-2H3
InChI Key:
QMPRMJHRYDLCEA-UHFFFAOYSA-N
SMILES:
N#CCC(=O)OCC(=O)OCCC(C)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.1g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.233g/mol
Monoisotopic Mass:
213.1g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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