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88536-55-4 | Cyclopentanepropanenitrile, 2-methoxy-, trans-
CAS No: 88536-55-4 Catalog No: AG004583 MDL No:
Product Description
Catalog Number:
AG004583
Chemical Name:
Cyclopentanepropanenitrile, 2-methoxy-, trans-
CAS Number:
88536-55-4
Molecular Formula:
C9H15NO
Molecular Weight:
153.2215
IUPAC Name:
3-(2-methoxycyclopentyl)propanenitrile
InChI:
InChI=1S/C9H15NO/c1-11-9-6-2-4-8(9)5-3-7-10/h8-9H,2-6H2,1H3
InChI Key:
HJQUUBNYAHEDCB-UHFFFAOYSA-N
SMILES:
CO[C@@H]1CCC[C@H]1CCC#N
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.115g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.225g/mol
Monoisotopic Mass:
153.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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