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15728-34-4 | Propanedinitrile, 2-[(3-ethoxy-4-hydroxyphenyl)methylene]-
CAS No: 15728-34-4 Catalog No: AG001PCE MDL No:
Product Description
Catalog Number:
AG001PCE
Chemical Name:
Propanedinitrile, 2-[(3-ethoxy-4-hydroxyphenyl)methylene]-
CAS Number:
15728-34-4
Molecular Formula:
C12H10N2O2
Molecular Weight:
214.2200
IUPAC Name:
2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanedinitrile
InChI:
InChI=1S/C12H10N2O2/c1-2-16-12-6-9(3-4-11(12)15)5-10(7-13)8-14/h3-6,15H,2H2,1H3
InChI Key:
NICBMMKNBWCVPN-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1O)C=C(C#N)C#N
NSC Number:
10748
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.224g/mol
Monoisotopic Mass:
214.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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