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Benzaldehyde-(phenyl-13C6)

CAT: 0572-TRC-B183897-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B183897-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153489-14-6
Synonyms
Benzenecarbonal-(phenyl-13C6); Phenylformaldehyde-(phenyl-13C6); Phenylmethanal-(phenyl-13C6); Benz-13C6-aldehyde
Hazard Statement
No Data Available; UN number: UN1990; Packing Group: III
Purity
>95% (GC)
Smiles
O=C[13c]1[13cH][13cH][13cH][13cH][13cH]1
Molecular Formula
13C6H5CHO
Molecular Weight
112.08
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Benz-13C6-aldehyde
CAS Number153489-14-6
PubChem CID10931392
IUPAC Name(1,2,3,4,5,6-13C6)cyclohexatrienecarbaldehyde
Molecular FormulaC7H6O
Molecular Weight112.078
XLogP1.5
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity72
SMILES
[13CH]1=[13CH][13CH]=[13C]([13CH]=[13CH]1)C=O
InChI
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H/i1+1,2+1,3+1,4+1,5+1,7+1
InChIKey
HUMNYLRZRPPJDN-ZXJNGCBISA-N
Chemical Structure
2D Structure
2D structure of Benz-13C6-aldehyde
CAS: 153489-14-6
CID: 10931392
Formula: C7H6O
MW: 112.078
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight112.078
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass112.06199382
Monoisotopic Mass112.06199382
Topological Polar Surface Area17.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity72.5
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
442269-01Benzaldehyde- (phenyl-13C6)
AR-S09322-01Sulfamerazine-13C6 (phenyl-13C6)
FS168582-01Sulfadiazine- (phenyl-13C6)
461749Oxybenzone- (phenyl-13C6)
450008Fenpropimorph (phenyl-13C6)
sc-301537Phenyl-13C6 isocyanate
AR-S09324-01Sulfamethoxazole- (phenyl-13C6)
UPC98108-01(±) -Clopidogrel- (phenyl-13C6)
sc-301696Resveratrol-phenyl-13C6
RG-A262080-01Benzoyl Chloride- (Phenyl-13C6)

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