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72887-19-5 | Cyclohexanepropanenitrile, 2-methoxy-, trans-
CAS No: 72887-19-5 Catalog No: AG005E4N MDL No:
Product Description
Catalog Number:
AG005E4N
Chemical Name:
Cyclohexanepropanenitrile, 2-methoxy-, trans-
CAS Number:
72887-19-5
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
3-[(1S,2R)-2-methoxycyclohexyl]propanenitrile
InChI:
InChI=1S/C10H17NO/c1-12-10-7-3-2-5-9(10)6-4-8-11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1
InChI Key:
ZXJSCMAUPIBRON-VHSXEESVSA-N
SMILES:
CO[C@@H]1CCCC[C@H]1CCC#N
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
167.131g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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