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132617-10-8 | 3-Butenenitrile, 2-hydroxy-4-phenyl-, (2S)-
CAS No: 132617-10-8 Catalog No: AG0010VV MDL No:
Product Description
Catalog Number:
AG0010VV
Chemical Name:
3-Butenenitrile, 2-hydroxy-4-phenyl-, (2S)-
CAS Number:
132617-10-8
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
(2S)-2-hydroxy-4-phenylbut-3-enenitrile
InChI:
InChI=1S/C10H9NO/c11-8-10(12)7-6-9-4-2-1-3-5-9/h1-7,10,12H/t10-/m0/s1
InChI Key:
FJMOXBHYSJFRPZ-JTQLQIEISA-N
SMILES:
O[C@H](C#N)C=Cc1ccccc1
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.7
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