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10017-04-6 | Benzeneacetonitrile, α-hydroxy-4-methyl-, (αR)-
CAS No: 10017-04-6 Catalog No: AG000150 MDL No:
Product Description
Catalog Number:
AG000150
Chemical Name:
Benzeneacetonitrile, α-hydroxy-4-methyl-, (αR)-
CAS Number:
10017-04-6
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
IUPAC Name:
(2R)-2-hydroxy-2-(4-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H9NO/c1-7-2-4-8(5-3-7)9(11)6-10/h2-5,9,11H,1H3/t9-/m0/s1
InChI Key:
KKGXJLAWLSJRGK-VIFPVBQESA-N
SMILES:
O[C@H](c1ccc(cc1)C)C#N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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