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205748-01-2 | Benzeneacetonitrile, 3-ethoxy-4-hydroxy-
CAS No: 205748-01-2 Catalog No: AG002AC3 MDL No:MFCD00017659
Product Description
Catalog Number:
AG002AC3
Chemical Name:
Benzeneacetonitrile, 3-ethoxy-4-hydroxy-
CAS Number:
205748-01-2
Molecular Formula:
C10H11NO2
Molecular Weight:
177.1998
MDL Number:
MFCD00017659
IUPAC Name:
2-(3-ethoxy-4-hydroxyphenyl)acetonitrile
InChI:
InChI=1S/C10H11NO2/c1-2-13-10-7-8(5-6-11)3-4-9(10)12/h3-4,7,12H,2,5H2,1H3
InChI Key:
BGCWVBVMOUDBJE-UHFFFAOYSA-N
SMILES:
CCOc1cc(CC#N)ccc1O
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.203g/mol
Monoisotopic Mass:
177.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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