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4-Methoxybenzophenone

CAT: 0013-GTR19250689-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19250689-02Size:5 g
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Description
4-Methoxybenzophenone
CAS Number
611-94-9
Smiles
COC1=CC=C (C=C1) C (=O) C1=CC=CC=C1
Molecular Formula
C14H12O2
Molecular Weight
212.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Methoxybenzophenone

structure in first source

CAS Number611-94-9
PubChem CID69146
IUPAC Name(4-methoxyphenyl)-phenylmethanone
Molecular FormulaC14H12O2
Molecular Weight212.24
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity223
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
SWFHGTMLYIBPPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methoxybenzophenone
CAS: 611-94-9
CID: 69146
Formula: C14H12O2
MW: 212.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.24
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass212.083729621
Monoisotopic Mass212.083729621
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity223
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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