CC#CC(=O)O
CAS: 590-93-2
Nombre: but-2-ynoic acid
SMILES: CC#CC(=O)O

Molecular Processing

Molecular formula
C4H4O2
Molecular weight
84.07
Exact mass
84.0211
XLogP
0.09
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
6
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
21.09

Supplementary Information

InChIKey: LUEHNHVFDCZTGL-UHFFFAOYSA-N
Sinónimos
2-Butynoic acid590-93-2but-2-ynoic acidTetrolic acid1-Propynecarboxylic acid3-Methylpropiolic acidW3AM9ANZ22NSC-174116DTXSID4060444RefChem:468156DTXCID6042521209-695-7MFCD000043632-butynoicacidbutynoic acid2-Butynoic acid, 98%Tetrolsaure2-butynic acid2-butylnoic acidEINECS 209-695-7TetrolsA currencyurepropinecarboxylic acidpropynecarboxylic acidNSC 174116small carboxylic acid 15UNII-W3AM9ANZ22SCA15SCHEMBL31045SCHEMBL248509orb1944612
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