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Fumaric Acid-13C4

CAT: 0572-TRC-F500382-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F500382-1MGSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201595-62-2
Synonyms
(2E)-2-Butenedioic Acid-13C4; (2E)-But-2-enedioic Acid-13C4; (E)-2-Butenedioic Acid-13C4; 2-(E)-Butenedioic Acid-13C4; (E)-Butenedioic Acid-13C4; Allomaleic Acid-13C4; Bakeshure 451-13C4; Bakeshure 470-13C4; Boletic Acid-13C4; FC 33-13C4; Lichenic Acid-13C4; NSC 2752-13C4; Petrom-13C4; trans-1,2-Ethylenedicarboxylic Acid-13C4; trans-2-Butenedioic Acid-13C4; trans-Butenedioic Acid-13C4;
Hazard Statement
Causes mild skin irritation.
Purity
>95% (HPLC)
Smiles
O=[13C](O)/[13C]([H])=[13C]([H])/[13C](O)=O
Molecular Formula
13C4H4O4
Molecular Weight
120.04
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Fumaric acid-13C4
CAS Number201595-62-2
PubChem CID71309144
IUPAC Name(E)-(1,2,3,4-13C4)but-2-enedioic acid
Molecular FormulaC4H4O4
Molecular Weight120.043
XLogP-0.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count8
Formal Charge0
Complexity119
SMILES
[13CH](=[13CH]/[13C](=O)O)\[13C](=O)O
InChI
InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
InChIKey
VZCYOOQTPOCHFL-BHBLSLFXSA-N
Chemical Structure
2D Structure
2D structure of Fumaric acid-13C4
CAS: 201595-62-2
CID: 71309144
Formula: C4H4O4
MW: 120.043
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight120.043
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass120.02437795
Monoisotopic Mass120.02437795
Topological Polar Surface Area74.6 Ų
Heavy Atom Count8
Formal Charge0
Complexity119
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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