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(2E)-but-2-ene-1,2,4-tricarboxylic acid

(2E)-but-2-ene-1,2,4-tricarboxylic acid

CAS: 31795-12-7

Formula: C7H8O6

SMILES: OC(=O)CC=C(/CC(O)=O)C(O)=O

IUPAC: (2E)-but-2-ene-1,2,4-tricarboxylic acid

InChI: InChI=1S/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1H,2-3H2,(H,8,9)(H,10,11)(H,12,13)/b4-1+

Composition: C (44.69%), H (4.29%), O (51.02%)

Molar Mass: 188.135

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 188.032087978
Formal Charge 0
FSP3 0.29
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey PQFOLJLIMNNJQY-DAFODLJHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.85
Topological Polar Surface Area 111.9
Polarizability 15.26
Ring Count 0
Rotatable Bond Count 5

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