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834885-65-3 | Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1R,2S)-
CAS No: 834885-65-3 Catalog No: AG004VPO MDL No:
Product Description
Catalog Number:
AG004VPO
Chemical Name:
Cyclopentanecarbonitrile, 2-butyl-1-hydroxy-, (1R,2S)-
CAS Number:
834885-65-3
Molecular Formula:
C10H17NO
Molecular Weight:
167.2481
IUPAC Name:
(1R,2S)-2-butyl-1-hydroxycyclopentane-1-carbonitrile
InChI:
InChI=1S/C10H17NO/c1-2-3-5-9-6-4-7-10(9,12)8-11/h9,12H,2-7H2,1H3/t9-,10-/m0/s1
InChI Key:
BPGMMOKNYWTRSX-UWVGGRQHSA-N
SMILES:
CCCC[C@H]1CCC[C@]1(O)C#N
Properties
Complexity:
193
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:
1
Isotope Atom Count:
0
Molecular Weight:
167.252g/mol
Monoisotopic Mass:
167.131g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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