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Home > Other Building Blocks > 88592-35-2
88592-35-2 | ethyl 2-cyano-3,3-dipropylheptanoate
CAS No: 88592-35-2 Catalog No: AG004B3N MDL No:
Product Description
Catalog Number:
AG004B3N
Chemical Name:
ethyl 2-cyano-3,3-dipropylheptanoate
CAS Number:
88592-35-2
Molecular Formula:
C16H29NO2
Molecular Weight:
267.4070
IUPAC Name:
ethyl 2-cyano-3,3-dipropylheptanoate
InChI:
InChI=1S/C16H29NO2/c1-5-9-12-16(10-6-2,11-7-3)14(13-17)15(18)19-8-4/h14H,5-12H2,1-4H3
InChI Key:
SJEFOGHDEAZXIM-UHFFFAOYSA-N
SMILES:
CCCCC(C(C(=O)OCC)C#N)(CCC)CCC
NSC Number:
83372
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.22g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.413g/mol
Monoisotopic Mass:
267.22g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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