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29621-69-0 | Propanedinitrile, 2-[(1S)-1-phenylethyl]-
CAS No: 29621-69-0 Catalog No: AG002YWF MDL No:
Product Description
Catalog Number:
AG002YWF
Chemical Name:
Propanedinitrile, 2-[(1S)-1-phenylethyl]-
CAS Number:
29621-69-0
Molecular Formula:
C11H10N2
Molecular Weight:
170.2105
IUPAC Name:
2-[(1S)-1-phenylethyl]propanedinitrile
InChI:
InChI=1S/C11H10N2/c1-9(11(7-12)8-13)10-5-3-2-4-6-10/h2-6,9,11H,1H3/t9-/m1/s1
InChI Key:
PSAGKLLRDSJIIK-SECBINFHSA-N
SMILES:
C[C@@H](C(C#N)C#N)c1ccccc1
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.215g/mol
Monoisotopic Mass:
170.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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