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834885-76-6 | Cyclopentanecarbonitrile, 1-hydroxy-2-methyl-, (1S,2S)-
CAS No: 834885-76-6 Catalog No: AG004VPM MDL No:
Product Description
Catalog Number:
AG004VPM
Chemical Name:
Cyclopentanecarbonitrile, 1-hydroxy-2-methyl-, (1S,2S)-
CAS Number:
834885-76-6
Molecular Formula:
C7H11NO
Molecular Weight:
125.1683
IUPAC Name:
(1S,2S)-1-hydroxy-2-methylcyclopentane-1-carbonitrile
InChI:
InChI=1S/C7H11NO/c1-6-3-2-4-7(6,9)5-8/h6,9H,2-4H2,1H3/t6-,7+/m0/s1
InChI Key:
YIBMTUNZXDLNOD-NKWVEPMBSA-N
SMILES:
N#C[C@]1(O)CCC[C@@H]1C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
125.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
125.171g/mol
Monoisotopic Mass:
125.084g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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