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Propionic Acid-13C

CAT: 0572-TRC-P786388-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P786388-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6212-69-7
Synonyms
Propionic Acid-13C; Propanoic-1-13C acid (9CI); Propanoic-1-13C acid; Propionic acid-1-13C
Hazard Statement
No Data Available
Smiles
CC[13C](=O)O
Molecular Formula
13C C2 H6 O2
Molecular Weight
75.071
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i3+1
Additionnal Information
IUPAC name: (1^{13}C)propanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propanoic acid-1-13C
CAS Number6212-69-7
PubChem CID12216717
IUPAC Name(113C)propanoic acid
Molecular FormulaC3H6O2
Molecular Weight75.07
XLogP0.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity40
SMILES
CC[13C](=O)O
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i3+1
InChIKey
XBDQKXXYIPTUBI-LBPDFUHNSA-N
Chemical Structure
2D Structure
2D structure of Propanoic acid-1-13C
CAS: 6212-69-7
CID: 12216717
Formula: C3H6O2
MW: 75.07
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight75.07
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass75.040134265
Monoisotopic Mass75.040134265
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity40.2
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes