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146255-65-4 | 2-Butenenitrile, 4-hydroxy-4-phenyl-
CAS No: 146255-65-4 Catalog No: AG001DTF MDL No:
Product Description
Catalog Number:
AG001DTF
Chemical Name:
2-Butenenitrile, 4-hydroxy-4-phenyl-
CAS Number:
146255-65-4
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
IUPAC Name:
4-hydroxy-4-phenylbut-2-enenitrile
InChI:
InChI=1S/C10H9NO/c11-8-4-7-10(12)9-5-2-1-3-6-9/h1-7,10,12H
InChI Key:
PATDYPQNVWGJAZ-UHFFFAOYSA-N
SMILES:
OC(c1ccccc1)C=CC#N
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.2
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