Chelidonic Acid Monohydrate

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Catalog Number
ACM-MO-6003947
Product Name
Chelidonic Acid Monohydrate
Structure
Structure
CAS
6003-94-7
Category
Heterocyclic Organic Compound
Synonyms
4-Oxo-4H-pyran-2,6-dicarboxylic Acid Monohydrate
IUPAC Name
4-oxopyran-2,6-dicarboxylic acid;hydrate
Molecular Weight
202.12 g/mol
Molecular Formula
C7H4O6·H2O
Canonical SMILES
C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O
InChI
InChI=1S/C7H4O6.H₂O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;/h1-2H,(H,9,10)(H,11,12);1H2
InChI Key
KJZJAKSEIQOKAK-UHFFFAOYSA-N
Appearance
White to Orange to Green Powder to Crystal
Complexity
316
Covalently-Bonded Unit Count
2
Exact Mass
202.011353g/mol
Formal Charge
0
H-Bond Acceptor
7
H-Bond Donor
3
Heavy Atom Count
14
Monoisotopic Mass
202.011353g/mol
Physical State
Solid
Rotatable Bond Count
2
MSDS
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COA
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Spec Sheet
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