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14799-79-2 | 2-Butenenitrile, 3-phenyl-, (2Z)-
CAS No: 14799-79-2 Catalog No: AG001FCS MDL No:MFCD21608282
Product Description
Catalog Number:
AG001FCS
Chemical Name:
2-Butenenitrile, 3-phenyl-, (2Z)-
CAS Number:
14799-79-2
Molecular Formula:
C10H9N
Molecular Weight:
143.1852
MDL Number:
MFCD21608282
IUPAC Name:
3-phenylbut-2-enenitrile
InChI:
InChI=1S/C10H9N/c1-9(7-8-11)10-5-3-2-4-6-10/h2-7H,1H3
InChI Key:
TZRCAFZIOSMMHX-UHFFFAOYSA-N
SMILES:
N#C/C=C(\c1ccccc1)/C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.073g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
143.189g/mol
Monoisotopic Mass:
143.073g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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