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154916-06-0 | Nonanenitrile, 2-(1-oxopropoxy)-, (S)- (9CI)
CAS No: 154916-06-0 Catalog No: AG001NGP MDL No:
Product Description
Catalog Number:
AG001NGP
Chemical Name:
Nonanenitrile, 2-(1-oxopropoxy)-, (S)- (9CI)
CAS Number:
154916-06-0
Molecular Formula:
C12H21NO2
Molecular Weight:
211.3006
IUPAC Name:
[(1S)-1-cyanooctyl] propanoate
InChI:
InChI=1S/C12H21NO2/c1-3-5-6-7-8-9-11(10-13)15-12(14)4-2/h11H,3-9H2,1-2H3/t11-/m0/s1
InChI Key:
FANCGNNJNWWANW-NSHDSACASA-N
SMILES:
CCCCCCC[C@H](OC(=O)CC)C#N
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
211.157g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.305g/mol
Monoisotopic Mass:
211.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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