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Glycerol-13C3

CAT: 0572-TRC-G598403-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-G598403-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63346-81-6
Hazard Statement
No Data Available
Purity
>95% (GC)
Smiles
O[13CH2][13CH](O)[13CH2]O
Molecular Formula
13C3 H8 O3
Molecular Weight
95.07
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1,3+1
Additionnal Information
IUPAC name: (1,2,3-^{13}C_{3})propane-1,2,3-triol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(~13~C_3_)Propane-1,2,3-triol
CAS Number63346-81-6
PubChem CID16213438
IUPAC Name(1,2,3-13C3)propane-1,2,3-triol
Molecular FormulaC3H8O3
Molecular Weight95.072
XLogP-1.8
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity25
SMILES
[13CH2]([13CH]([13CH2]O)O)O
InChI
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2/i1+1,2+1,3+1
InChIKey
PEDCQBHIVMGVHV-VMIGTVKRSA-N
Chemical Structure
2D Structure
2D structure of (~13~C_3_)Propane-1,2,3-triol
CAS: 63346-81-6
CID: 16213438
Formula: C3H8O3
MW: 95.072
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight95.072
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass95.05740862
Monoisotopic Mass95.05740862
Topological Polar Surface Area60.7 Ų
Heavy Atom Count6
Formal Charge0
Complexity25.2
Isotope Atom Count3
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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