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113576-56-0 | Tetradecanenitrile, 3-hydroxy-
CAS No: 113576-56-0 Catalog No: AG000916 MDL No:
Product Description
Catalog Number:
AG000916
Chemical Name:
Tetradecanenitrile, 3-hydroxy-
CAS Number:
113576-56-0
Molecular Formula:
C14H27NO
Molecular Weight:
225.3703
IUPAC Name:
3-hydroxytetradecanenitrile
InChI:
InChI=1S/C14H27NO/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h14,16H,2-12H2,1H3
InChI Key:
ILNUGZHDTJANGX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(CC#N)O
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.209g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.376g/mol
Monoisotopic Mass:
225.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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