C(#CC(=O)O)C(=O)O
CAS: 142-45-0
Name: but-2-ynedioic acid
SMILES: C(#CC(=O)O)C(=O)O

Molecular Processing

Molecular formula
C4H2O4
Molecular weight
114.06
Exact mass
113.9953
XLogP
-0.84
TPSA
74.6
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
23.05

Supplementary Information

InChIKey: YTIVTFGABIZHHX-UHFFFAOYSA-N
Synonyme
acetylenedicarboxylic acid142-45-02-butynedioic acidbut-2-ynedioic acidButynedioic acidNSC-1903NSC-6315972D2OJ4KO44DTXSID3059715CHEBI:30781RefChem:468155DTXCID9034608205-536-0acetylenedicarboxylate2-Butyne-1,4-dioic acidMFCD00004362acetylene dicarboxylic acid2-ButynedioicAcidNSC631597NSC 631597Acetylenedicarboxylicacid2-Butyne-1,4-dioic Acid; Butynedioic Acid; NSC 1903; NSC 631597;NSC 1903AcetylendicarboxylateEINECS 205-536-0acetylene dicarboxylicHOOCC=CCOOHbmse000416SCHEMBL4200UNII-2D2OJ4KO44
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