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86604-43-5 | [1-(3-methoxyphenyl)ethylidene]propanedinitrile
CAS No: 86604-43-5 Catalog No: AG004L27 MDL No:
Product Description
Catalog Number:
AG004L27
Chemical Name:
[1-(3-methoxyphenyl)ethylidene]propanedinitrile
CAS Number:
86604-43-5
Molecular Formula:
C12H10N2O
Molecular Weight:
198.2206
IUPAC Name:
2-[1-(3-methoxyphenyl)ethylidene]propanedinitrile
InChI:
InChI=1S/C12H10N2O/c1-9(11(7-13)8-14)10-4-3-5-12(6-10)15-2/h3-6H,1-2H3
InChI Key:
KSTYFPHNAZISJF-UHFFFAOYSA-N
SMILES:
N#CC(=C(c1cccc(c1)OC)C)C#N
NSC Number:
61799
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.225g/mol
Monoisotopic Mass:
198.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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