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90936-91-7 | Propanedinitrile, [3-(4-hydroxyphenyl)-1-methyl-2-propenylidene]-
CAS No: 90936-91-7 Catalog No: AG006GDI MDL No:
Product Description
Catalog Number:
AG006GDI
Chemical Name:
Propanedinitrile, [3-(4-hydroxyphenyl)-1-methyl-2-propenylidene]-
CAS Number:
90936-91-7
Molecular Formula:
C13H10N2O
Molecular Weight:
210.2313
IUPAC Name:
2-[4-(4-hydroxyphenyl)but-3-en-2-ylidene]propanedinitrile
InChI:
InChI=1S/C13H10N2O/c1-10(12(8-14)9-15)2-3-11-4-6-13(16)7-5-11/h2-7,16H,1H3
InChI Key:
YZQGFABVTZFPHX-UHFFFAOYSA-N
SMILES:
N#CC(=C(C=Cc1ccc(cc1)O)C)C#N
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.079g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.236g/mol
Monoisotopic Mass:
210.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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