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2- (Benzyloxy) -5-cyanophenol

CAT: 0127-OR1100520Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1100520Size:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
194985-94-9
MDL Number
MFCD11046656
Purity
98%
Smiles
OC1=C (OCC2=CC=CC=C2) C=CC (C#N) =C1

Chemical Information

4-(Benzyloxy)-3-hydroxybenzonitrile
CAS Number194985-94-9
PubChem CID15453451
IUPAC Name3-hydroxy-4-phenylmethoxybenzonitrile
Molecular FormulaC14H11NO2
Molecular Weight225.24
XLogP2.8
Topological Polar Surface Area53.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count17
Formal Charge0
Complexity277
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)C#N)O
InChI
InChI=1S/C14H11NO2/c15-9-12-6-7-14(13(16)8-12)17-10-11-4-2-1-3-5-11/h1-8,16H,10H2
InChIKey
WXWYOLTXMVROOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzyloxy)-3-hydroxybenzonitrile
CAS: 194985-94-9
CID: 15453451
Formula: C14H11NO2
MW: 225.24
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight225.24
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass225.078978594
Monoisotopic Mass225.078978594
Topological Polar Surface Area53.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity277
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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