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138248-71-2 | Propanedinitrile, 2-[(4-acetyl-3-hydroxyphenyl)methylene]-
CAS No: 138248-71-2 Catalog No: AG0018DM MDL No:
Product Description
Catalog Number:
AG0018DM
Chemical Name:
Propanedinitrile, 2-[(4-acetyl-3-hydroxyphenyl)methylene]-
CAS Number:
138248-71-2
Molecular Formula:
C12H8N2O2
Molecular Weight:
212.2041
IUPAC Name:
2-[(4-acetyl-3-hydroxyphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C12H8N2O2/c1-8(15)11-3-2-9(5-12(11)16)4-10(6-13)7-14/h2-5,16H,1H3
InChI Key:
MTAGNLGMXJGTGE-UHFFFAOYSA-N
SMILES:
N#CC(=Cc1ccc(c(c1)O)C(=O)C)C#N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.208g/mol
Monoisotopic Mass:
212.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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