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101559-74-4 | 2-Propynenitrile, 3-[4-(trans-4-propylcyclohexyl)phenyl]-
CAS No: 101559-74-4 Catalog No: AG0004SL MDL No:
Product Description
Catalog Number:
AG0004SL
Chemical Name:
2-Propynenitrile, 3-[4-(trans-4-propylcyclohexyl)phenyl]-
CAS Number:
101559-74-4
Molecular Formula:
C18H21N
Molecular Weight:
251.3660
IUPAC Name:
3-[4-(4-propylcyclohexyl)phenyl]prop-2-ynenitrile
InChI:
InChI=1S/C18H21N/c1-2-4-15-6-10-17(11-7-15)18-12-8-16(9-13-18)5-3-14-19/h8-9,12-13,15,17H,2,4,6-7,10-11H2,1H3
InChI Key:
SGQVMDAZJCBGCS-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)C#CC#N
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.167g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.373g/mol
Monoisotopic Mass:
251.167g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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