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3-(phenoxy-13C6)-benzaldehyde

CAT: 0572-TRC-P297807-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P297807-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2411870-76-1
Hazard Statement
No Data Available
Smiles
O=CC1=CC=CC(O[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2)=C1
Molecular Formula
C713C6H10O2
Molecular Weight
204.18
InChI
InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H/i1+1,2+1,3+1,6+1,7+1,12+1
Additionnal Information
IUPAC name: 3-(phenoxy-13C6)benzaldehyde
Shipping Conditions
Room Temperature

Chemical Information

3-(phenoxy-13C6)-benzaldehyde
CAS Number2411870-76-1
PubChem CID171381203
IUPAC Name3-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)benzaldehyde
Molecular FormulaC13H10O2
Molecular Weight204.17
XLogP3.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity197
SMILES
C1=CC(=CC(=C1)O[13C]2=[13CH][13CH]=[13CH][13CH]=[13CH]2)C=O
InChI
InChI=1S/C13H10O2/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-10H/i1+1,2+1,3+1,6+1,7+1,12+1
InChIKey
MRLGCTNJRREZHZ-RXPKSWELSA-N
Chemical Structure
2D Structure
2D structure of 3-(phenoxy-13C6)-benzaldehyde
CAS: 2411870-76-1
CID: 171381203
Formula: C13H10O2
MW: 204.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight204.17
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass204.08820857
Monoisotopic Mass204.08820857
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity197
Isotope Atom Count6
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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Alternative Products

CatalogName
426590-013-Phenoxy-benzaldehyde-1,2,3,4,5,6-13C6
PC109477-013-[3- (Trifluoromethyl) phenoxy]benzaldehyde
423343-013- (Phenoxy-13C6) benzoic Acid
442269-01Benzaldehyde- (phenyl-13C6)
sc-3361624- (Phenoxy) -3-fluoro-benzaldehyde
FJB47484-014- (3-Methoxy-phenoxy) -benzaldehyde
sc-3441203- (2-Chloro-phenoxy) -benzaldehyde
PC1012405-013- ((3- (trifluoromethyl) phenoxy) methyl) benzaldehyde
AR-T05023-013, 3'-Diiodo-L-Thyronine- (Phenoxy-13C6)
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