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(²H?)butanedioic acid

(²H?)butanedioic acid

CAS: 14493-42-6

Formula: C4H6O4

SMILES: [2H]C([2H])(C(O)=O)C([2H])([2H])C(O)=O

IUPAC: (²H?)butanedioic acid

InChI: InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1D2,2D2

Composition: C (39.34%), H (1.65%), [2H] (6.60%), O (52.41%)

Molar Mass: 122.112

Atom Count: 14

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 122.051715657
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KDYFGRWQOYBRFD-LNLMKGTHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 23.54
Topological Polar Surface Area 74.6
Polarizability 9.38
Ring Count 0
Rotatable Bond Count 3

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