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142-45-0 | But-2-ynedioic acid
CAS No: 142-45-0 Catalog No: AG003NNV MDL No:MFCD00004362
Product Description
Catalog Number:
AG003NNV
Chemical Name:
But-2-ynedioic acid
CAS Number:
142-45-0
Molecular Formula:
C4H2O4
Molecular Weight:
114.0563
MDL Number:
MFCD00004362
IUPAC Name:
but-2-ynedioic acid
InChI:
InChI=1S/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
InChI Key:
YTIVTFGABIZHHX-UHFFFAOYSA-N
SMILES:
OC(=O)C#CC(=O)O
UNII:
2D2OJ4KO44
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
113.995g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
114.056g/mol
Monoisotopic Mass:
113.995g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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