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115022-60-1 | Benzonitrile, 4-(3-buten-1-yloxy)-
CAS No: 115022-60-1 Catalog No: AG000FPK MDL No:
Product Description
Catalog Number:
AG000FPK
Chemical Name:
Benzonitrile, 4-(3-buten-1-yloxy)-
CAS Number:
115022-60-1
Molecular Formula:
C11H11NO
Molecular Weight:
173.2111
IUPAC Name:
4-but-3-enoxybenzonitrile
InChI:
InChI=1S/C11H11NO/c1-2-3-8-13-11-6-4-10(9-12)5-7-11/h2,4-7H,1,3,8H2
InChI Key:
KRTAVQKUTUYWGI-UHFFFAOYSA-N
SMILES:
C=CCCOc1ccc(cc1)C#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:
173.084g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.215g/mol
Monoisotopic Mass:
173.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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