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2-Phenoxybenzyl alcohol

CAT: 0926-FP70506-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FP70506-01Size:5 g
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CAS Number
13807-84-6
Synonyms
(2-Phenoxyphenyl) methanol
MDL Number
MFCD00017297
Smiles
C1=CC=C (C=C1) OC2=CC=CC=C2CO
Molecular Formula
C13H12O2
Molecular Weight
200.23 g/mol
Controlled
No

Chemical Information

2-Phenoxybenzyl alcohol
CAS Number13807-84-6
PubChem CID3660111
IUPAC Name(2-phenoxyphenyl)methanol
Molecular FormulaC13H12O2
Molecular Weight200.23
XLogP2.7
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity175
SMILES
C1=CC=C(C=C1)OC2=CC=CC=C2CO
InChI
InChI=1S/C13H12O2/c14-10-11-6-4-5-9-13(11)15-12-7-2-1-3-8-12/h1-9,14H,10H2
InChIKey
VMZBMTWFHYYOIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Phenoxybenzyl alcohol
CAS: 13807-84-6
CID: 3660111
Formula: C13H12O2
MW: 200.23
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.23
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass200.083729621
Monoisotopic Mass200.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity175
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