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Succinic Acid-13C4

CAT: 0572-TRC-S688767-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S688767-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201595-67-7
Synonyms
Butanedioic Acid-13C4; 1,2-Ethanedicarboxylic Acid-13C4; 1,4-Butanedioic Acid-13C4; A 12084-13C4; Amber Acid-13C4; Asuccin-13C4; Dihydrofumaric Acid-13C4; Katasuccin-13C4; NSC 106449-13C4; NSC 25949-13C4; Wormwood Acid-13C4; Yantar-antitox-13C4;
Hazard Statement
Causes serious eye damage.
Purity
>95% (HPLC)
Smiles
O=[13C](O)[13C]([HH])[13C]([HH])[13C](O)=O
Molecular Formula
13C4H6O4
Molecular Weight
122.06
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(~13~C_4_)Butanedioic acid
CAS Number201595-67-7
PubChem CID16213533
IUPAC Name(1,2,3,4-13C4)butanedioic acid
Molecular FormulaC4H6O4
Molecular Weight122.059
XLogP-0.6
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count8
Formal Charge0
Complexity92
SMILES
[13CH2]([13CH2][13C](=O)O)[13C](=O)O
InChI
InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1,3+1,4+1
InChIKey
KDYFGRWQOYBRFD-JCDJMFQYSA-N
Chemical Structure
2D Structure
2D structure of (~13~C_4_)Butanedioic acid
CAS: 201595-67-7
CID: 16213533
Formula: C4H6O4
MW: 122.059
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight122.059
XLogP3-0.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass122.04002801
Monoisotopic Mass122.04002801
Topological Polar Surface Area74.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity92.6
Isotope Atom Count4
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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