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89790-26-1 | 2-Propenenitrile, 3-(4-butoxyphenyl)-
CAS No: 89790-26-1 Catalog No: AG003ZE0 MDL No:
Product Description
Catalog Number:
AG003ZE0
Chemical Name:
2-Propenenitrile, 3-(4-butoxyphenyl)-
CAS Number:
89790-26-1
Molecular Formula:
C13H15NO
Molecular Weight:
201.2643
IUPAC Name:
3-(4-butoxyphenyl)prop-2-enenitrile
InChI:
InChI=1S/C13H15NO/c1-2-3-11-15-13-8-6-12(7-9-13)5-4-10-14/h4-9H,2-3,11H2,1H3
InChI Key:
IXYFJFWIXTYYSK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C=CC#N
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.115g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.269g/mol
Monoisotopic Mass:
201.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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