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17686-43-0 | Acetic acid, 2-cyano-, decyl ester
CAS No: 17686-43-0 Catalog No: AG0024Z2 MDL No:
Product Description
Catalog Number:
AG0024Z2
Chemical Name:
Acetic acid, 2-cyano-, decyl ester
CAS Number:
17686-43-0
Molecular Formula:
C13H23NO2
Molecular Weight:
225.3272
IUPAC Name:
decyl 2-cyanoacetate
InChI:
InChI=1S/C13H23NO2/c1-2-3-4-5-6-7-8-9-12-16-13(15)10-11-14/h2-10,12H2,1H3
InChI Key:
FEPOSCQQECTWHH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOC(=O)CC#N
EC Number:
241-670-6
NSC Number:
70112
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.332g/mol
Monoisotopic Mass:
225.173g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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