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17686-44-1 | Acetic acid, 2-cyano-, 2-butoxyethyl ester
CAS No: 17686-44-1 Catalog No: AG0024Z1 MDL No:
Product Description
Catalog Number:
AG0024Z1
Chemical Name:
Acetic acid, 2-cyano-, 2-butoxyethyl ester
CAS Number:
17686-44-1
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
IUPAC Name:
2-butoxyethyl 2-cyanoacetate
InChI:
InChI=1S/C9H15NO3/c1-2-3-6-12-7-8-13-9(11)4-5-10/h2-4,6-8H2,1H3
InChI Key:
FNPBCBLPNJNGCZ-UHFFFAOYSA-N
SMILES:
CCCCOCCOC(=O)CC#N
EC Number:
605-784-3
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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